SCHEMBL10201490

SCHEMBL10201490

C[C@H]1C[C@@H](c2nc3cc(C#Cc4ccc5c(ccc6nc([C@@H]7C[C@H](C)CN7C(=O)OC(C)(C)C)[nH]c65)c4)ccc3[nH]2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.36
GABRG2 P18507 4/20 0.36
GABRB3 P28472 4/20 0.36
GABRA3 P34903 4/20 0.36
GABRA2 P47869 4/20 0.36
PARP1 P09874 1/20 0.33
CYP2C9 P11712 1/20 0.31
KCNH2 Q12809 1/20 0.31
GABRA5 P31644 2/20 0.31
GABRA6 Q16445 2/20 0.31
GABRA4 P48169 1/20 0.31
GRM5 P41594 2/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL12373624 0.89 GABRA5 (0.37) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10201148 0.88 GABRG2 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL19488798 0.84 GABRA1 (0.30) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10201762 0.84 USP30 (0.36) PARP1CYP2C9KCNH2HCRTR1HCRTR2
SCHEMBL12798667 0.82 CYP1A2 (0.39) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL14849158 0.82 CYP2C9 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10201174 0.81 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL10201503 0.81 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2279381 0.80 CYP2C9 (0.47) CYP2C9KCNH2
SCHEMBL2279391 0.80 CYP2C9 (0.47) CYP2C9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
WO-2012018325-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 WO disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 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 (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-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GABRA1 3946/4885GABRG2 3280/4885GABRB3 2346/4885

“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.