SCHEMBL629565

SCHEMBL629565

CCC1CCc2cc(O)c([N+](=O)[O-])cc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.41
CYP19A1 P11511 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
FYN P06241 2/20 0.41
DRD2 P14416 2/20 0.38
DRD1 P21728 1/20 0.38
HSD17B10 Q99714 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
HIF1A Q16665 1/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL12355688 0.78 ADRA2A (0.40) OPRM1OPRK1FYNMAPTALDH1A1
SCHEMBL630175 0.74 POLB (0.43) CYP19A1MAPTALDH1A1KDM4E
SCHEMBL1647316 0.73 GPR35 (0.46) STSCYP19A1HSD17B10MAPTALDH1A1
SCHEMBL306355 0.73 GPR35 (0.46) STSCYP19A1HSD17B10MAPTALDH1A1
SCHEMBL29847105 0.73 GPR35 (0.46) STSCYP19A1HSD17B10MAPTALDH1A1
SCHEMBL6997080 0.72 GPR35 (0.44) STSCYP19A1HSD17B10MAPTALDH1A1
SCHEMBL6999559 0.72 GPR35 (0.44) STSCYP19A1HSD17B10MAPTALDH1A1
SCHEMBL15413033 0.70 FYN (0.37) CYP19A1FYNDRD2DRD1HSD17B10
SCHEMBL12355678 0.69 KMT2A (0.47) MAPTALDH1A1MAPK1KDM4EL3MBTL1
SCHEMBL630379 0.68 CYP19A1 (0.60) CYP19A1OPRK1DRD2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 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 (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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC STS 548/4885CYP19A1 1316/4885OPRM1 2259/4885

“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.