SCHEMBL735580

SCHEMBL735580

c1ccc2c(CCc3ccncc3)c[nH]c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.57
CYP3A4 P08684 2/20 0.57
HTR2C P28335 2/20 0.57
MPO P05164 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2A6 P11509 1/20 0.57
NFKB1 P19838 1/20 0.57
HTR1D P28221 1/20 0.57
HTR1B P28222 1/20 0.57
HTR7 P34969 1/20 0.57
CTSK P43235 1/20 0.57
HTR6 P50406 1/20 0.57
CYP2A13 Q16696 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
PMP22 Q01453 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 1/20 0.55
AHR P35869 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
SCHEMBL31060530 1.00 HTR2A (0.57) HTR2ACYP3A4HTR2CMPOCYP1A2
SCHEMBL8524609 0.86 MEN1 (0.70) HTR2ACYP3A4HTR2CMPOCYP1A2
SCHEMBL1993893 0.85 MEN1 (0.74) HTR2ACYP3A4HTR2CMPOCYP1A2
SCHEMBL4985934 0.84 HTR2A (0.77) HTR2ACYP3A4HTR2CMPOCYP1A2
SCHEMBL6168855 0.83 MEN1 (0.56) HTR2ACYP3A4HTR2CMPOCYP1A2
SCHEMBL26699137 0.81 GPR84 (0.52) HTR6MEN1KMT2AGPR84KDM4E
SCHEMBL31744670 0.80 HTR2A (0.57) HTR2ACYP3A4HTR2CMPOCYP1A2
SCHEMBL7263795 0.80 HTR2A (0.57) HTR2ACYP3A4HTR2CMPOCYP1A2
SCHEMBL10969880 0.80 GFER (0.65) HTR2ACYP3A4HTR2CMPOCYP1A2
SCHEMBL18826588 0.80 KMT2A (0.60) HTR2ACYP3A4HTR2CMPOCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102046597-B (hetero) arylcyclohexane derivatives GRUENENTHAL GMBH 2013-09-11 CN claimed
CN-102046597-A (hetero) arylcyclohexane derivatives GRUENENTHAL GMBH 2011-05-04 CN claimed
EP-0065907-B1 ((TETRA AND HEXAHYDRO-PYRIDYL-4)-2-ETHYL)-3 INDOLES, AND THEIR USE AS PHARMACEUTICAL PREPARATIONS PHARMUKA LABORATOIRES (FR) 1984-12-05 EP claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
EP-2280941-B1 (HETERO-)ARYL CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2015-05-06 EP disclosed
CN-101516844-B 4-heteroaryl substituted 1-aminocyclohexane-1-and cyclohexene-1-derivatives having activity on opioid receptor systems GRUENENTHAL GMBH 2013-12-11 CN disclosed
CN-102046597-B (hetero) arylcyclohexane derivatives GRUENENTHAL GMBH 2013-09-11 CN disclosed
WO-2013086002-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING CANCER CELLWORKS RESEARCH INDIA PRIVATE LIMITED (IN) 2013-06-13 WO disclosed
WO-2013086002-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING CANCER CELLWORKS RESEARCH INDIA PRIVATE LIMITED (IN) 2013-06-13 WO disclosed
EP-2044016-B1 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM GRUENENTHAL GMBH (DE) 2012-12-05 EP disclosed
US-7977370-B2 (Hetero)aryl cyclohexane derivatives GRUENENTHAL GMBH (DE) 2011-07-12 US disclosed
CN-102046597-A (hetero) arylcyclohexane derivatives GRUENENTHAL GMBH 2011-05-04 CN disclosed
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 US disclosed
US-20090247573-A1 (HETERO)ARYL CYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 US disclosed
CN-101516844-A 4-heteroaryl substituted 1-aminocyclohexane-1-and cyclohexene-1-derivatives having activity on opioid receptor systems GRUENENTHAL GMBH (DE) 2009-08-26 CN disclosed
EP-2044016-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2009-04-08 EP disclosed
WO-2008009415-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2008-01-24 WO disclosed
US-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's FREDERICKSON MARTYN (GB) 2005-06-09 US disclosed
US-4478841-A HEADACHES, ANTICOAGULANTS, THYMOANALEPTIC PHARMUKA LABORATOIRES (FR) 1984-10-23 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 (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-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's MAPK1, IDO1, INMT HTR2A 1350/4885CYP3A4 1382/4885HTR2C 1176/4885
US-20090247573-A1 (HETERO)ARYL CYCLOHEXANE DERIVATIVES OPRL1, OPRM1, OPRD1 HTR2A 83/4885CYP3A4 385/4885HTR2C 28/4885
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES CYP3A43, HMGCR, ABCG2 HTR2A 238/4885CYP3A4 8/4885HTR2C 118/4885

“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.