SCHEMBL3836149

SCHEMBL3836149

Oc1ccc2[nH]cc(C3=CCNCC3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.67
KDM4E B2RXH2 4/20 0.66
ALDH1A1 P00352 4/20 0.66
HSD17B10 Q99714 4/20 0.66
HTR2C P28335 3/20 0.66
MAPT P10636 3/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
HTR1D P28221 3/20 0.66
CYP1A2 P05177 2/20 0.66
CYP3A4 P08684 2/20 0.66
MAPK1 P28482 1/20 0.66
BRCA1 P38398 1/20 0.66
DRD2 P14416 1/20 0.65
ALOX15 P16050 1/20 0.65
JAK2 O60674 1/20 0.57
PRKD3 O94806 1/20 0.57
MARK3 P27448 1/20 0.57
PRKCI P41743 1/20 0.57
PRKCD Q05655 1/20 0.57

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
SCHEMBL1675799 0.83 HTR6 (0.67) HTR6KDM4EALDH1A1HSD17B10HTR2C
SCHEMBL2778860 0.83 HTR6 (0.67) HTR6KDM4EALDH1A1HSD17B10HTR2C
SCHEMBL7460028 0.83 HTR6 (0.67) HTR6KDM4EALDH1A1HSD17B10HTR2C
SCHEMBL6631651 0.83 KDM4E (0.70) HTR6KDM4EALDH1A1HSD17B10HTR2C
SCHEMBL2783986 0.83 HTR6 (0.67) HTR6KDM4EALDH1A1HSD17B10HTR2C
SCHEMBL13533314 0.82 HTR6 (0.63) HTR6KDM4EALDH1A1HSD17B10HTR2C
Water SCHEMBL10867618 0.82 HTR6 (0.70) HTR6KDM4EALDH1A1HSD17B10HTR2C
SCHEMBL4880407 0.81 HTR6 (1.00) HTR6KDM4EALDH1A1HSD17B10HTR2C
SCHEMBL6631360 0.80 HTR6 (0.60) HTR6KDM4EALDH1A1HSD17B10HTR2C
SCHEMBL12648562 0.80 KDM4E (0.62) HTR6KDM4EALDH1A1HSD17B10HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-7635696-B2 Isoxazoline-indole derivatives with an improved antipsychotic and anxiolytic activity JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-22 US disclosed
EP-1819713-B1 ISOXAZOLINE-INDOLE DERIVATIVES WITH AN IMPROVED ANTIPSYCHOTIC AND ANXIOLYTIC A IVITY JANSSEN PHARMACEUTICA NV (BE) 2009-09-23 EP disclosed
US-20080113988-A1 Isoxazoline-Indole Derivatives With an Improved Antipsychotic and Anxiolytic Activity JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-15 US disclosed
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
CN-1093125-C Sulfamide-metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-23 CN disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
CN-1250445-A Sulfamide-metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2000-04-12 CN disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP disclosed
EP-0683166-B1 3-Indolylpiperidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO disclosed
US-5693655-A 3-indolylpiperidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-02 US disclosed
EP-0683166-A1 3-Indolylpiperidines MERCK PATENT GmbH (DE) 1995-11-22 EP disclosed
US-5036075-A Serotonin antagonists RHONE-POULENC SANTE (FR) 1991-07-30 US disclosed
US-5021420-A Antiserotonine agents; central nervous system, gastroin-testinal and cardiovascular disorders RHONE-POULENC SANTE (FR) 1991-06-04 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 (2 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-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A HTR6 1/4885KDM4E 3933/4885ALDH1A1 2581/4885
US-20080113988-A1 Isoxazoline-Indole Derivatives With an Improved Antipsychotic and Anxiolytic Activity HTR3A, HTR2C, HTR5A HTR6 95/4885KDM4E 3900/4885ALDH1A1 844/4885

“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.