SCHEMBL1745832

SCHEMBL1745832

CN1CCC[C@H]1C(=O)N[C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@H](NC(=O)[C@@H]5CCCN5C)c5ccccc5)[nH]4)cc3)cc2)[nH]1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.56
KCNH2 Q12809 3/20 0.56
CYP2C9 P11712 3/20 0.56
NR1I2 O75469 1/20 0.56
ABCB11 O95342 1/20 0.56
OPRK1 P41145 1/20 0.56
CYP1A2 P05177 2/20 0.51
PRCP P42785 8/20 0.51
CYP2D6 P10635 1/20 0.51
OPRM1 P35372 2/20 0.47
OPRD1 P41143 2/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL3344176 1.00 CYP3A4 (0.56) CYP3A4KCNH2CYP2C9NR1I2ABCB11
SCHEMBL1745831 1.00 CYP3A4 (0.56) CYP3A4KCNH2CYP2C9NR1I2ABCB11
SCHEMBL1746983 0.92 KCNH2 (0.49) CYP3A4KCNH2CYP2C9NR1I2ABCB11
SCHEMBL3347794 0.92 KCNH2 (0.55) CYP3A4KCNH2CYP2C9NR1I2ABCB11
SCHEMBL3347788 0.92 KCNH2 (0.55) CYP3A4KCNH2CYP2C9NR1I2ABCB11
SCHEMBL10145205 0.92 KCNH2 (0.49) CYP3A4KCNH2CYP2C9NR1I2ABCB11
SCHEMBL13293369 0.90 KCNH2 (0.48) CYP3A4KCNH2CYP2C9NR1I2ABCB11
SCHEMBL12068488 0.90 KCNH2 (0.48) CYP3A4KCNH2CYP2C9NR1I2ABCB11
SCHEMBL10145166 0.90 CYP3A4 (0.56) CYP3A4KCNH2CYP2C9NR1I2ABCB11
SCHEMBL12069073 0.90 CYP3A4 (0.56) CYP3A4KCNH2CYP2C9NR1I2ABCB11

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
US-9227961-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US claimed
US-20150011754-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-08 US claimed
EP-2385048-A1 Hepatitis C virus inhibitors Bristol-Myers Squibb Company (US) 2011-11-09 EP disclosed
US-20110252687-A1 Canting Vertical Fore Grip with Bipod GRIP POD SYSTEMS, LLC 2011-10-20 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-20150011754-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP3A4 1107/4885KCNH2 4523/4885CYP2C9 2585/4885

“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.