SCHEMBL3199131

SCHEMBL3199131

O=C(O)c1ccc2c(c1)CC=N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
SRD5A2 P31213 5/20 0.42
SRD5A1 P18405 4/20 0.42
KDM4E B2RXH2 6/20 0.41
MAPT P10636 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 2/20 0.41
BLM P54132 1/20 0.41
GRM1 Q13255 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM6B O15054 1/20 0.40
TET3 O43151 1/20 0.40
KDM4A O75164 1/20 0.40
BBOX1 O75936 1/20 0.40
KDM5A P29375 1/20 0.40
KDM5C P41229 1/20 0.40
ASPH Q12797 1/20 0.40

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
SCHEMBL5138970 0.85 ALDH1A1 (0.47) ALDH1A1SRD5A2SRD5A1KDM4EMAPT
SCHEMBL14949879 0.84 MAPT (0.50) ALDH1A1KDM4EMAPTPOLBL3MBTL1
SCHEMBL25171204 0.82 ALDH1A1 (0.49) ALDH1A1SRD5A2SRD5A1KDM4EMAPT
SCHEMBL14952625 0.80 TRPA1 (0.57) ALDH1A1KDM4EMAPTTDP1MAPK1
SCHEMBL7001972 0.77 SRD5A2 (0.46) ALDH1A1SRD5A2SRD5A1KDM4EMAPT
SCHEMBL7400636 0.74 TDP2 (0.50) ALDH1A1SRD5A2SRD5A1KDM4EMAPT
SCHEMBL9770840 0.74 PTPN1 (0.44) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL10363468 0.71 ALDH1A1 (0.44) ALDH1A1SRD5A2SRD5A1KDM4EMAPT
SCHEMBL17242206 0.70 CA1 (0.46) ALDH1A1KDM4EMAPTTDP1CYP2C19
SCHEMBL6918958 0.70 ALDH1A1 (0.50) ALDH1A1SRD5A2KDM4EMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088105-A1 Cyclohexyl Amide Derivatives and Their Use as CRF-1 Receptor Antagonists NOVARTIS AG (CH) 2014-03-27 US claimed
US-20100035898-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 US claimed
CN-102143940-B Cyclohexyl amide derivatives as CRF-1 receptor antagonists and uses thereof NOVARTIS AG 2014-04-16 CN disclosed
US-20140088105-A1 Cyclohexyl Amide Derivatives and Their Use as CRF-1 Receptor Antagonists NOVARTIS AG (CH) 2014-03-27 US disclosed
US-8614213-B2 Cyclohexyl amide derivatives and their use as CRF-1 receptor antagonists NOVARTIS AG (CH) 2013-12-24 US disclosed
US-8273900-B2 Organic compounds NOVARTIS AG (CH) 2012-09-25 US disclosed
US-20100035898-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 US disclosed
US-20070249588-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2007-10-25 US disclosed
CN-1918166-A Nicotinic acetylcholine receptor ligands ASTRAZENECA AB (SE) 2007-02-21 CN disclosed
EP-1699801-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2005061510-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
US-4016172-A DYEING POLYAMIDES AND POLYURETHANES BAYER AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed
US-3959306-A Azolindolines and azolindoline dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 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 (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-20100035898-A1 Organic compounds CRH, CRHR1, CRHR2 ALDH1A1 2024/4885SRD5A2 270/4885SRD5A1 247/4885
US-20070249588-A1 Nicotinic Acetylcholine Receptor Ligands CHRNA1, CHRNB1, CHRNA2 ALDH1A1 500/4885SRD5A2 380/4885SRD5A1 395/4885
US-20140088105-A1 Cyclohexyl Amide Derivatives and Their Use as CRF-1 Receptor Antagonists CRHR1, CRH, CRHR2 ALDH1A1 3581/4885SRD5A2 1043/4885SRD5A1 919/4885

“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.