SCHEMBL4674658

SCHEMBL4674658

CN1CC=C(c2c[nH]c3ccccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 1.00
KDM4E B2RXH2 3/20 1.00
LMNA P02545 3/20 1.00
ALOX15 P16050 3/20 1.00
HTR1A P08908 2/20 1.00
POLB P06746 1/20 1.00
HTR6 P50406 1/20 1.00
HSD17B10 Q99714 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
HTT P42858 2/20 0.71
NPC1 O15118 1/20 0.71
RAB9A P51151 1/20 0.71
TDO2 P48775 1/20 0.66
DRD2 P14416 1/20 0.62
HTR2A P28223 1/20 0.62

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
Hydrochloric Acid SCHEMBL11439099 1.00 SLC6A4 (1.00) SLC6A4KDM4ELMNAALOX15HTR1A
SCHEMBL1720553 0.84 SLC6A4 (0.72) SLC6A4KDM4ELMNAALOX15HTR1A
Hydrochloric Acid SCHEMBL7364527 0.83 SLC6A4 (0.71) SLC6A4KDM4ELMNAALOX15HTR1A
SCHEMBL7363081 0.83 SLC6A4 (0.71) SLC6A4KDM4ELMNAALOX15HTR1A
SCHEMBL13323539 0.83 SLC6A4 (1.00) SLC6A4KDM4ELMNAALOX15HTR1A
Hydrochloric Acid SCHEMBL11316658 0.83 KDM4E (1.00) SLC6A4KDM4ELMNAALOX15HTR1A
SCHEMBL11320474 0.83 KDM4E (1.00) SLC6A4KDM4ELMNAALOX15HTR1A
SCHEMBL11315106 0.82 KDM4E (0.81) SLC6A4KDM4ELMNAALOX15HTR1A
Hydrochloric Acid SCHEMBL11313113 0.82 KDM4E (0.81) SLC6A4KDM4ELMNAALOX15HTR1A
Hydrochloric Acid SCHEMBL11325899 0.82 KDM4E (1.00) SLC6A4KDM4ELMNAALOX15HTR1A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003200-B1 TETRAHYDROPYRIDINYL INDOLE DERIVATIVES AND THEIR SALTS FOR USE IN A METHOD FOR THERAPEUTIC TREATMENT OF THE HUMAN OR ANIMAL BODY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1986-08-13 EP claimed
US-4195081-A Treating psychic disorders with tetrahydropyridin-4-yl-1H-indoles ROUSSEL UCLAF (FR) 1980-03-25 US claimed
EP-1984351-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY Memory Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
EP-1173432-B9 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY NPS ALLELIX CORP (CA) 2008-10-15 EP disclosed
EP-1173432-B1 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY NPS ALLELIX CORP (CA) 2007-10-17 EP disclosed
US-20070225269-A1 Use of (3-(1-(3-Phenyl-Propenyl)-Piperidin-4-Yl)-2,3-Dihydro-Indol-1-Yl)-(Pyridin-4-Yl)-Methanonone Derivatives and Related Compounds as Insecticides SYNGENTA CROP PROTECTION, INC. 2007-09-27 US disclosed
WO-2007098418-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2007-08-30 WO disclosed
US-6608079-B1 Activating serotonin-1F receptors, inhibiting neuronal protein extravasation, treating migraine ELI LILLY AND COMPANY 2003-08-19 US disclosed
EP-1173432-A1 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY NPS Allelix Corp. (CA) 2002-01-23 EP disclosed
WO-2000063203-A1 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-10-26 WO disclosed
US-6133287-A SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS, E.G., PSYCHOSIS, SCHIZOPHRENIA, MANIC DEPRESSION, DEPRESSION, MEMORY DISTURBANCES, PARKINSONISM, AMYLOTROPHIC LATERAL SCLEROSIS, ALZHEIMER'S AND HUNTINGTON'S DISEASE ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-10-17 US disclosed
US-4195081-A Treating psychic disorders with tetrahydropyridin-4-yl-1H-indoles ROUSSEL UCLAF (FR) 1980-03-25 US 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 (1 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-20070225269-A1 Use of (3-(1-(3-Phenyl-Propenyl)-Piperidin-4-Yl)-2,3-Dihydro-Indol-1-Yl)-(Pyridin-4-Yl)-Methanonone Derivatives and Related Compounds as Insecticides CHRM1, NPY1R, MRM1 SLC6A4 4269/4885KDM4E 1814/4885LMNA 2377/4885

“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.