SCHEMBL2586060

SCHEMBL2586060

CCC(C)[C@H](OC(N)=O)C(=O)N1CCC[C@H]1c1ncc(-c2cnc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)N(CC)CC)[nH]4)cc3)nc2)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.65
OPRM1 P35372 2/20 0.45
OPRD1 P41143 2/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 3/20 0.45
NR1I2 O75469 1/20 0.45
ABCB11 O95342 1/20 0.45
OPRK1 P41145 1/20 0.45
PRCP P42785 8/20 0.44
CYP1A2 P05177 2/20 0.43
HPGDS O60760 3/20 0.43
CYP2D6 P10635 1/20 0.41

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
SCHEMBL19548054 0.94 KCNH2 (0.66) KCNH2OPRM1OPRD1CYP3A4CYP2C9
SCHEMBL2962436 0.94 KCNH2 (0.66) KCNH2OPRM1OPRD1CYP3A4CYP2C9
SCHEMBL14675018 0.90 KCNH2 (0.73) KCNH2OPRM1OPRD1CYP3A4CYP2C9
SCHEMBL692686 0.88 KCNH2 (0.74) KCNH2OPRM1OPRD1CYP3A4CYP2C9
SCHEMBL3241410 0.87 KCNH2 (0.62) KCNH2OPRM1OPRD1CYP3A4CYP2C9
SCHEMBL19548079 0.87 KCNH2 (0.71) KCNH2OPRM1OPRD1CYP3A4CYP2C9
SCHEMBL690397 0.87 KCNH2 (0.71) KCNH2OPRM1OPRD1CYP3A4CYP2C9
SCHEMBL692685 0.86 KCNH2 (0.70) KCNH2OPRM1OPRD1CYP3A4CYP2C9
SCHEMBL2586065 0.86 KCNH2 (0.65) KCNH2OPRM1OPRD1CYP3A4CYP2C9
SCHEMBL2586059 0.86 KCNH2 (0.65) KCNH2OPRM1OPRD1CYP3A4CYP2C9

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-20110268697-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 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-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KCNH2 4523/4885OPRM1 2169/4885OPRD1 2943/4885

“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.