SCHEMBL1478629

SCHEMBL1478629

O=C(O)NC(C(=O)N1CCCC1c1nc(-c2ccc(-c3ccc(-c4ccc(-c5c[nH]c([C@@H]6CCCN6C(=O)[C@H](NC(=O)O)c6ccccc6)n5)cc4)cc3)cc2)c[nH]1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.45
CYP3A4 P08684 3/20 0.42
PRCP P42785 6/20 0.42
CYP2C9 P11712 2/20 0.40
PREP P48147 1/20 0.40
FAP Q12884 1/20 0.40
PPIB P23284 1/20 0.39
PPIA P62937 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
OPRK1 P41145 1/20 0.39
ADAM17 P78536 2/20 0.38
AADAT Q8N5Z0 1/20 0.37

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
SCHEMBL16223451 1.00 KCNH2 (0.45) KCNH2CYP3A4PRCPCYP2C9PREP
SCHEMBL1478082 0.94 KCNH2 (0.42) KCNH2CYP3A4PRCPCYP2C9PREP
SCHEMBL1477978 0.94 KCNH2 (0.41) KCNH2CYP3A4PRCPCYP2C9PREP
SCHEMBL1477983 0.94 KCNH2 (0.41) KCNH2CYP3A4PRCPCYP2C9PREP
SCHEMBL1478074 0.94 KCNH2 (0.42) KCNH2CYP3A4PRCPCYP2C9PREP
SCHEMBL1479453 0.94 PRCP (0.43) KCNH2PRCPPPIBPPIAADAM17
SCHEMBL1479444 0.94 PRCP (0.43) KCNH2PRCPPPIBPPIAADAM17
SCHEMBL1478695 0.92 KCNH2 (0.42) KCNH2CYP3A4PRCPCYP2C9PPIB
SCHEMBL1478981 0.91 KCNH2 (0.42) KCNH2CYP3A4PRCPCYP2C9PPIB
SCHEMBL883039 0.91 KCNH2 (0.58) KCNH2CYP3A4PRCPCYP2C9NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414350-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-12 EP claimed
US-8822444-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US disclosed
US-8796466-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-05 US disclosed
US-20120277266-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-11-01 US disclosed
US-20110077280-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 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 (2 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-20110077280-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS KCNH2 4814/4885CYP3A4 3387/4885PRCP 573/4885
US-20120277266-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS KCNH2 4814/4885CYP3A4 3387/4885PRCP 573/4885

“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.