SCHEMBL3409075

SCHEMBL3409075

O=C(OCc1ccccc1)C1CCN(I)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
CYP2C19 P33261 1/20 0.55
FKBP1A P62942 2/20 0.50
PKM P14618 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 1/20 0.50
EGFR P00533 2/20 0.49
FABP7 O15540 1/20 0.49
FABP5 Q01469 1/20 0.49
HPGD P15428 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10917021 0.85 FABP7 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19PKM
SCHEMBL280126 0.85 FABP7 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19PKM
SCHEMBL6666657 0.85 FABP7 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19PKM
SCHEMBL18047420 0.85 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19FKBP1A
SCHEMBL28702024 0.85 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19FKBP1A
SCHEMBL13287204 0.85 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19FKBP1A
SCHEMBL205217 0.85 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19PKM
Hydrochloric Acid SCHEMBL27765522 0.84 FABP7 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19PKM
Hydrochloric Acid SCHEMBL27944947 0.84 FABP7 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19PKM
Iodide SCHEMBL4050383 0.84 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19FKBP1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216513-A1 FATTY ACID-BIFUNCTIONAL DEGRADER CONJUGATES AND THEIR METHODS OF USE NOVARTIS AG (CH) 2024-07-04 US disclosed
WO-2021055295-A1 BRD9 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE NOVARTIS AG (CH) 2021-03-25 WO disclosed
CN-101962369-A Amino diaryl [a, d] the suberene analogue that replaces is as the purposes of muscarinic agonist and the methods of treatment of neuropsychiatric disease ACADIA PHARM INC 2011-02-02 CN disclosed
CN-1913900-B Amino-substituted diaryl [ a, d ] cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric diseases ACADIA PHARM INC 2010-11-24 CN disclosed
US-20100129473-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-7622461-B2 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders ACADIA PHARMACEUTICALS INC. (US) 2009-11-24 US disclosed
US-20090239840-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2009-09-24 US disclosed
EP-2088147-A1 Dibenzo-condensed azepine, diazepine, oxazepine and thiazepine derivatives as muscarinic agonists and methods of treatment of neuropsychiatric disorders Arcadia Pharmaceuticals Inc. (US) 2009-08-12 EP disclosed
US-7550454-B2 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders ACADIA PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-7517871-B2 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders ACADIA PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-20070197502-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS EK FREDRIK 2007-08-23 US disclosed
WO-2006107948-A9 USE OF N-DESMETHYLCLOZAPINE AND RELATED COMPOUNDS AS DOPAMINE STABILIZING AGENTS ACADIA PHARM INC (US) 2007-02-22 WO disclosed
CN-1913900-A Amino-substituted diaryl [ a, d ] cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric diseases ACADIA PHARM INC (US) 2007-02-14 CN disclosed
US-20060252744-A1 Use of N-desmethylclozapine and related compounds as dopamine stabilizing agents ACADIA PHARMACEUTICALS INC. 2006-11-09 US disclosed
WO-2006107948-A2 USE OF N-DESMETHYLCLOZAPINE AND RELATED COMPOUNDS AS DOPAMINE STABILIZING AGENTS ACADIA PHARMACEUTICALS INC. (US) 2006-10-12 WO disclosed
US-20060199798-A1 Amino bustituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders EK FREDRIK 2006-09-07 US disclosed
EP-1696931-A2 AMINO SUBSTITUTED DIARYL [A,D]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS Acadia Pharmaceuticals Inc. (US) 2006-09-06 EP disclosed
US-20060194784-A1 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders EK FREDRIK 2006-08-31 US disclosed
US-20050192268-A1 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders ACADIA PHARMACEUTICALS INC. 2005-09-01 US disclosed
WO-2005063254-A2 AMINO SUBSTITUTED DIARYL[A,D]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS ACADIA PHARMACEUTICALS INC. (US) 2005-07-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100129473-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS CHRM4, CHRM5, CHRM1 SMN1; SMN2 2818/4885NPC1 2579/4885RAB9A 2387/4885
US-20070197502-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS CHRM4, CHRM5, CHRM1 SMN1; SMN2 2791/4885NPC1 2540/4885RAB9A 2382/4885
US-20060252744-A1 Use of N-desmethylclozapine and related compounds as dopamine stabilizing agents DRD3, DRD2, PNMT SMN1; SMN2 741/4885NPC1 1277/4885RAB9A 619/4885
US-20240216513-A1 FATTY ACID-BIFUNCTIONAL DEGRADER CONJUGATES AND THEIR METHODS OF USE FASN, FABP1, SCD SMN1; SMN2 1118/4885NPC1 1022/4885RAB9A 2740/4885
US-20060194784-A1 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders CHRM4, CHRM5, CHRNA10 SMN1; SMN2 1714/4885NPC1 1512/4885RAB9A 2300/4885
US-20090239840-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS CHRM4, CHRM5, CHRNA10 SMN1; SMN2 1714/4885NPC1 1512/4885RAB9A 2300/4885
US-20050192268-A1 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders CHRM4, CHRM5, CHRNA10 SMN1; SMN2 1714/4885NPC1 1512/4885RAB9A 2300/4885
US-20060199798-A1 Amino bustituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders OPRL1, CHRM4, CNR1 SMN1; SMN2 1583/4885NPC1 1311/4885RAB9A 3012/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.