SCHEMBL42206

SCHEMBL42206

[NH]C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.67
▸ SIGMAR1 Q99720 3/20 0.65
▸ CCR3 P51677 1/20 0.65
▸ DRD2 P14416 2/20 0.61
▸ DRD4 P21917 2/20 0.61
▸ DRD3 P35462 2/20 0.61
▸ BACE1 P56817 3/20 0.59
▸ BCHE P06276 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.56
▸ CXCR4 P61073 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ MC4R P32245 1/20 0.55

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
SCHEMBL2776772 0.89 ACHE (0.58) ACHESIGMAR1CCR3DRD2DRD4
SCHEMBL42500 0.89 ACHE (0.58) ACHESIGMAR1CCR3DRD2DRD4
SCHEMBL2775677 0.89 ACHE (0.58) ACHESIGMAR1CCR3DRD2DRD4
SCHEMBL8315434 0.83 ACHE (0.71) ACHESIGMAR1CCR3DRD2DRD4
SCHEMBL4849743 0.83 POLB (0.64) ALDH1A1HTR2A
SCHEMBL7363662 0.82 ACHE (0.69) ACHESIGMAR1CCR3DRD2DRD4
SCHEMBL2010139 0.82 ACHE (0.69) ACHESIGMAR1CCR3DRD2DRD4
SCHEMBL4257757 0.82 ACHE (0.69) ACHESIGMAR1CCR3DRD2DRD4
SCHEMBL4700697 0.81 SIGMAR1 (0.50) SIGMAR1ALDH1A1CXCR4MEN1KMT2A
SCHEMBL242970 0.80 SIGMAR1 (1.00) ACHESIGMAR1CCR3DRD4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 — — US claimed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 — — US claimed
EP-3002287-B1 Thiochromeno[2,3-c]quinolin-12-one derivatives and their use as topoisomerase inhibitors NAT DEFENSE MEDICAL CENTER (TW) 2018-01-31 — — EP claimed
EP-1434763-B1 BETA-LACTAMYL VASOPRESSIN V1A ANTAGONISTS AZEVAN PHARMACEUTICALS INC (US) 2018-01-17 — — EP claimed
US-9597314-B2 Beta-lactamylalkanoic acids for treating premenstrual disorders AZEVAN PHARMACEUTICALS, INC. (US) 2017-03-21 — — US claimed
EP-3002287-A1 Thiochromeno[2,3-c]quinolin-12-one derivatives and their use as topoisomerase inhibitors National Defense Medical Center (TW) 2016-04-06 — — EP claimed
US-8927717-B1 Thiochromeno[2,3-c]quinolin-12-one derivatives, preparation method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2015-01-06 — — US claimed
EP-1865963-A2 TRIAZADIBENZOAZULENE COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR Acadia Pharmaceuticals Inc. (US) 2007-12-19 — — EP claimed
EP-1412328-B1 DOLASTATIN 10 DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-10-04 — — EP claimed
US-20060217370-A1 Compounds useful for the treatment and prevention of pain and screening methods therefor ACADIA PHARMACEUTICALS INC. 2006-09-28 — — US claimed
EP-1163212-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 — — EP claimed
EP-1115707-A1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-07-18 — — EP claimed
EP-1102750-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES AstraZeneca AB (SE) 2001-05-30 — — EP claimed
WO-2001023392-A1 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-05 — — WO claimed
WO-2000055120-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 — — WO claimed
WO-2000018738-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-04-06 — — WO claimed
WO-2000007991-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES ASTRAZENECA AB (SE) 2000-02-17 — — WO claimed
US-5066643-A Enzyme inhibitors, protease and esterase, hypotensive agents, congestive heart failure SANDOZ LTD. (CH) 1991-11-19 — — US claimed
US-4746649-A Diamino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1988-05-24 — — US claimed
EP-0186977-A2 Renin-inhibitory dipeptides, their preparation and use SANKYO COMPANY LIMITED (JP) 1986-07-09 — — EP claimed

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

For each of this compound's patents that has machine-readable text (3 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-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT ACHE 18/4885SIGMAR1 3525/4885CCR3 1071/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B ACHE 98/4885SIGMAR1 502/4885CCR3 3159/4885
US-20060217370-A1 Compounds useful for the treatment and prevention of pain and screening methods therefor ACHE, OPRL1, OPRK1 ACHE 1/4885SIGMAR1 81/4885CCR3 3056/4885

“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.

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