SCHEMBL913022

SCHEMBL913022

CC(C)[C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1)N(C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.57
CYP2C9 P11712 3/20 0.57
KCNH2 Q12809 2/20 0.57
NR1I2 O75469 2/20 0.57
ABCB11 O95342 1/20 0.57
OPRK1 P41145 1/20 0.57
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 1/20 0.51
PRCP P42785 7/20 0.47
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44

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
SCHEMBL690467 0.89 CYP3A4 (0.58) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL3348172 0.89 CYP3A4 (0.64) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL1747478 0.89 KCNH2 (0.59) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL3348191 0.89 CYP3A4 (0.64) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL2586932 0.89 KCNH2 (0.59) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL932660 0.88 CYP3A4 (0.48) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL933846 0.88 CYP3A4 (0.48) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL1746268 0.88 CYP3A4 (0.56) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL1746267 0.88 CYP3A4 (0.56) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL2587110 0.87 KCNH2 (0.57) CYP3A4CYP2C9KCNH2NR1I2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-01-13 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-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CYP3A4 204/4885CYP2C9 350/4885KCNH2 3887/4885

“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.