SCHEMBL14833619

SCHEMBL14833619

CC1(C)OB(c2cccc3c(C4CC4)noc23)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.43
▸ HTR1A P08908 2/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ BTK Q06187 1/20 0.31

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
SCHEMBL18865627 0.73 OPRL1 (0.38) —
SCHEMBL29691063 0.73 OPRL1 (0.38) —
SCHEMBL20430172 0.72 EPHX2 (0.32) JAK2BTK
SCHEMBL14833696 0.71 PTGS1 (0.43) CYP17A1
SCHEMBL14833491 0.71 CYP17A1 (0.48) CYP17A1HTR2AJAK2BTK
SCHEMBL21177656 0.71 LPL (0.39) JAK2BTK
SCHEMBL21624164 0.70 SLC6A4 (0.42) HTR1AJAK2BTK
SCHEMBL29968120 0.70 SLC6A4 (0.42) HTR1AJAK2BTK
SCHEMBL15995776 0.70 JAK2 (0.36) JAK2BTK
SCHEMBL16006540 0.70 CA12 (0.35) JAK2BTK

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598436-B2 Substituted bicyclic heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 — — US disclosed
US-9598436-B2 Substituted bicyclic heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 — — US disclosed
US-9598436-B2 Substituted bicyclic heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 — — US disclosed
EP-2760870-B1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-05-04 — — EP disclosed
EP-2760870-B1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-05-04 — — EP disclosed
US-20160096847-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-04-07 — — US disclosed
US-20160096847-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-04-07 — — US disclosed
US-20160096847-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-04-07 — — US disclosed
US-9242967-B2 Substituted bicyclic heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 — — US disclosed
US-9242967-B2 Substituted bicyclic heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 — — US disclosed
US-20150126529-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2015-05-07 — — US disclosed
US-8969586-B2 Substituted bicyclic heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-03 — — US disclosed
US-8969586-B2 Substituted bicyclic heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-03 — — US disclosed
US-8969586-B2 Substituted bicyclic heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-03 — — US disclosed
US-20140235647-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2014-08-21 — — US disclosed
US-20140235647-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2014-08-21 — — US disclosed
US-20140235647-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2014-08-21 — — US disclosed
EP-2760870-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS Bristol-Myers Squibb Company (US) 2014-08-06 — — EP disclosed
WO-2013049263-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — WO disclosed
WO-2013049263-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — WO 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-20160096847-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS CYP1A2, CYP3A43, CYP4A22 CYP17A1 35/4885HTR1A 2478/4885HTR2A 1501/4885
US-20140235647-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS CYP4A22, CYP1A2, CYP2C18 CYP17A1 23/4885HTR1A 2801/4885HTR2A 1972/4885
US-20150126529-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS CYP4A22, CYP1A2, CYP2C18 CYP17A1 23/4885HTR1A 2801/4885HTR2A 1972/4885

“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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