SCHEMBL14914521

SCHEMBL14914521

COC(=O)[C@@]12C[C@H]1C=CCCC(C)C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.43
▸ ADRB3 P13945 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32

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
SCHEMBL13829957 1.00 CYP3A4 (0.43) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL17732634 0.88 CYP3A4 (0.46) CYP3A4
SCHEMBL13829909 0.88 CYP3A4 (0.46) CYP3A4
SCHEMBL14927493 0.88 CYP3A4 (0.46) CYP3A4
SCHEMBL13829670 0.87 CYP3A4 (0.55) CYP3A4
SCHEMBL15681102 0.87 CYP3A4 (0.55) CYP3A4
SCHEMBL18827781 0.87 CYP3A4 (0.49) CYP3A4
SCHEMBL13830365 0.85 CYP3A4 (0.51) CYP3A4
SCHEMBL16487845 0.85 CYP3A4 (0.51) CYP3A4
SCHEMBL3373243 0.85 ADRB3 (0.42) CYP3A4ADRB3ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 — — US disclosed
EP-2909205-B1 9-METHYL SUBSTITUTED HEXADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINYL CARBAMATE DERIVATIVES AS NON-STRUCTURAL 3 (NS3) PROTEASE INHIBITORS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS BRISTOL MYERS SQUIBB CO (US) 2016-11-23 — — EP disclosed
US-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 — — US disclosed
EP-2705049-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-19 — — EP disclosed
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 — — US disclosed
US-20150125422-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-05-07 — — US disclosed
US-8957203-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-17 — — US disclosed
US-20130115190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-05-09 — — 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 (3 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-20150125422-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 CYP3A4 455/4885ADRB3 3229/4885ADRA2B 3268/4885
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, GOT1 CYP3A4 455/4885ADRB3 3229/4885ADRA2B 3268/4885
US-20130115190-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 CYP3A4 455/4885ADRB3 3229/4885ADRA2B 3268/4885

“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.

Send feedback