SCHEMBL12147602

SCHEMBL12147602

C[C@H]1C[C@@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6C[C@H](C)CN6C(=O)OC(C)(C)C)[nH]5)cc4)cc3)[nH]2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.47
KCNH2 Q12809 3/20 0.47
CYP3A4 P08684 4/20 0.46
HPGDS O60760 3/20 0.46
NR1I2 O75469 1/20 0.46
ABCB11 O95342 1/20 0.46
OPRK1 P41145 1/20 0.46
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
PRCP P42785 7/20 0.43
SSTR3 P32745 1/20 0.40
F11 P03951 2/20 0.37
F2 P00734 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
SCHEMBL14793107 0.99 CYP2C9 (0.48) CYP2C9KCNH2CYP3A4HPGDSNR1I2
SCHEMBL12530978 0.99 CYP2C9 (0.48) CYP2C9KCNH2CYP3A4HPGDSNR1I2
SCHEMBL15747168 0.94 CYP2C9 (0.45) CYP2C9KCNH2CYP3A4HPGDSNR1I2
SCHEMBL1317926 0.94 CYP2C9 (0.45) CYP2C9KCNH2CYP3A4HPGDSNR1I2
SCHEMBL1317924 0.94 CYP2C9 (0.45) CYP2C9KCNH2CYP3A4HPGDSNR1I2
SCHEMBL12107415 0.93 CYP2C9 (0.47) CYP2C9KCNH2CYP3A4HPGDSNR1I2
SCHEMBL12107621 0.93 CYP2C9 (0.47) CYP2C9KCNH2CYP3A4HPGDSNR1I2
SCHEMBL14238590 0.92 CYP2C9 (0.43) CYP2C9KCNH2CYP3A4HPGDSNR1I2
SCHEMBL14793256 0.91 CYP2C9 (0.54) CYP2C9KCNH2CYP3A4HPGDSNR1I2
SCHEMBL15457654 0.91 CYP2C9 (0.42) CYP2C9KCNH2CYP3A4HPGDSNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 EP disclosed
US-8377980-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-19 US disclosed
US-20110286961-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-24 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-20110286961-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP2C9 2585/4885KCNH2 4523/4885CYP3A4 1107/4885

“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.