SCHEMBL4178633

SCHEMBL4178633

COc1ccc2[nH]cc(C3=CCN(C(=O)O)CC3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.70
HTR1A P08908 11/20 0.63
DRD2 P14416 11/20 0.63
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
HTR1D P28221 1/20 0.57
HTR2C P28335 1/20 0.57
MAPK1 P28482 1/20 0.57
BRCA1 P38398 1/20 0.57
HTR6 P50406 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57
HTR2A P28223 2/20 0.56
DRD1 P21728 1/20 0.55
DRD3 P35462 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
SCHEMBL16801779 0.91 SLC6A4 (0.70) SLC6A4HTR1ADRD2KDM4EMEN1
SCHEMBL6811482 0.86 SLC6A4 (0.64) SLC6A4HTR1ADRD2KDM4EMEN1
SCHEMBL4697961 0.85 SLC6A4 (0.67) SLC6A4HTR1ADRD2KDM4EMEN1
SCHEMBL3233304 0.83 SLC6A4 (0.67) SLC6A4HTR1ADRD2MAPTHTR2C
SCHEMBL1232327 0.83 SLC6A4 (0.50) SLC6A4MAPT
SCHEMBL1703585 0.83 SLC6A4 (0.67) SLC6A4HTR1ADRD2MAPTHTR6
SCHEMBL7704740 0.82 SLC6A4 (1.00) SLC6A4HTR1ADRD2
Oxalic Acid SCHEMBL8869051 0.80 SLC6A4 (0.77) SLC6A4HTR1ADRD2
SCHEMBL6345407 0.80 SLC6A4 (0.69) SLC6A4HTR1AHTR6
SCHEMBL18324680 0.80 SLC6A4 (0.70) SLC6A4HTR1ADRD2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029979-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2009-01-29 US claimed
EP-1902044-A1 5-HTX MODULATORS Bio Medisinsk Innovasjon AS (NO) 2008-03-26 EP claimed
WO-2007007072-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2007-01-18 WO claimed
CN-106045967-B Substituted heterocyclic compounds and their use in medicine 广东东阳光药业有限公司 2020-04-21 CN disclosed
CN-106045966-B Substituted heterocyclic compounds and their use in medicine 广东东阳光药业有限公司 2020-04-21 CN disclosed
US-20090029979-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2009-01-29 US disclosed
EP-1560823-B1 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2008-07-09 EP disclosed
EP-1560823-A1 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS Grünenthal GmbH (DE) 2005-08-10 EP disclosed
US-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 US disclosed
WO-2004043949-A1 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS Grünenthal GmbH (DE) 2004-05-27 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 (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-20090029979-A1 5-HTX MODULATORS HTR7, HTR5A, HTR2C SLC6A4 20/4885HTR1A 4/4885DRD2 75/4885
US-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 SLC6A4 1958/4885HTR1A 264/4885DRD2 1606/4885

“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.