SCHEMBL4955686

SCHEMBL4955686

CC(C)(C)OC(=O)N[C@H]1CCCCCC=C[C@@H]2C[C@@]2(C(=O)O)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ GAA P10253 1/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ F2 P00734 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PDE4B Q07343 2/20 0.30

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
SCHEMBL3058262 1.00 ADRB3 (0.45) ADRB3ADRA2BADRA2CGAACYP3A4
SCHEMBL3058266 1.00 ADRB3 (0.45) ADRB3ADRA2BADRA2CGAACYP3A4
SCHEMBL3058264 1.00 ADRB3 (0.45) ADRB3ADRA2BADRA2CGAACYP3A4
SCHEMBL5534012 1.00 ADRB3 (0.45) ADRB3ADRA2BADRA2CGAACYP3A4
SCHEMBL5530647 1.00 ADRB3 (0.45) ADRB3ADRA2BADRA2CGAACYP3A4
SCHEMBL7876742 1.00 ADRB3 (0.45) ADRB3ADRA2BADRA2CGAACYP3A4
SCHEMBL5534015 1.00 ADRB3 (0.45) ADRB3ADRA2BADRA2CGAACYP3A4
SCHEMBL2624064 1.00 ADRB3 (0.45) ADRB3ADRA2BADRA2CGAACYP3A4
SCHEMBL5530641 1.00 ADRB3 (0.45) ADRB3ADRA2BADRA2CGAACYP3A4
SCHEMBL7898346 0.95 ADRB3 (0.44) ADRB3ADRA2BADRA2CGAACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089385-B1 INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2016-01-06 — — EP disclosed
US-8951964-B2 Phenanthridine macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2015-02-10 — — US disclosed
EP-2086994-B1 INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 — — EP disclosed
US-8343477-B2 Viricides; serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 — — US disclosed
US-20120295842-A1 PHENANTHRIDINE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBVIE INC. 2012-11-22 — — US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20080107624-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — 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-20080107624-A1 Inhibitors of Hepatitis C Virus HAVCR2, MRPS23, HCCS ADRB3 3003/4885ADRA2B 4031/4885ADRA2C 3634/4885
US-20120295842-A1 PHENANTHRIDINE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, HPN, PRSS1 ADRB3 4212/4885ADRA2B 4747/4885ADRA2C 4161/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP ADRB3 3491/4885ADRA2B 3677/4885ADRA2C 3435/4885

“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.

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