SCHEMBL690591

SCHEMBL690591

CN(C(=O)O)[C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2cnc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)Cc5cccnc5)[nH]4)cc3)nc2)[nH]1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.53
PRCP P42785 11/20 0.48
HPGDS O60760 1/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
NR1I2 O75469 1/20 0.42
ABCB11 O95342 1/20 0.42
OPRK1 P41145 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL690905 1.00 KCNH2 (0.53) KCNH2PRCPHPGDSOPRM1OPRD1
SCHEMBL1747036 0.95 KCNH2 (0.58) KCNH2PRCPOPRM1OPRD1CYP3A4
SCHEMBL690862 0.93 KCNH2 (0.53) KCNH2PRCPOPRM1OPRD1CYP3A4
SCHEMBL690483 0.90 KCNH2 (0.51) KCNH2PRCPOPRM1OPRD1CYP3A4
SCHEMBL692368 0.89 PRCP (0.51) KCNH2PRCPHPGDSOPRM1OPRD1
SCHEMBL693276 0.89 PRCP (0.51) KCNH2PRCPHPGDSOPRM1OPRD1
SCHEMBL690370 0.89 PRCP (0.52) KCNH2PRCPOPRM1OPRD1CYP3A4
SCHEMBL2591062 0.89 KCNH2 (0.59) KCNH2PRCPOPRM1OPRD1CYP3A4
SCHEMBL15673813 0.89 KCNH2 (0.59) KCNH2PRCPOPRM1OPRD1CYP3A4
SCHEMBL690843 0.89 KCNH2 (0.62) KCNH2PRCPOPRM1OPRD1CYP3A4

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
EP-2049116-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-29 EP claimed
US-7659270-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-09 US claimed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US claimed
EP-2049116-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-29 EP 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-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KCNH2 4523/4885PRCP 190/4885HPGDS 582/4885

“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.