SCHEMBL1097337

SCHEMBL1097337

CC1(C)NC(=O)c2ccccc2[C@@H]1n1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.52
ALDH1A1 P00352 1/20 0.33
CYP11B2 P19099 1/20 0.32
GSK3B P49841 1/20 0.31
QPCT Q16769 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
IDE P14735 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL1097340 1.00 CYP19A1 (0.52) CYP19A1ALDH1A1CYP11B2GSK3BQPCT
SCHEMBL2817618 0.81 CYP19A1 (0.54) CYP19A1CYP11B2
SCHEMBL1097187 0.81 CYP19A1 (0.54) CYP19A1CYP11B2
SCHEMBL2822510 0.81 CYP19A1 (0.54) CYP19A1CYP11B2
SCHEMBL1097189 0.77 CYP19A1 (0.50) CYP19A1CYP11B2
SCHEMBL1098477 0.77 CYP19A1 (0.50) CYP19A1CYP11B2
SCHEMBL1098290 0.76 CYP19A1 (0.49) CYP19A1CYP11B2IDE
SCHEMBL1096672 0.76 CYP19A1 (0.49) CYP19A1CYP11B2IDE
SCHEMBL11488659 0.73 CYP19A1 (0.55) CYP19A1ALDH1A1TNKS2
SCHEMBL841685 0.72 CYP19A1 (0.43) CYP19A1CYP11B2GSK3BFNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 US disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
EP-2001866-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-17 EP disclosed
WO-2007117982-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 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-20090182007-A1 ORGANIC COMPOUNDS REN, CYP17A1, HSD17B1 CYP19A1 166/4885ALDH1A1 215/4885CYP11B2 28/4885

“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.