SCHEMBL16048065

SCHEMBL16048065

Cc1cc(F)cc2cc(C#N)oc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.39
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
APOBEC3G Q9HC16 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
SCHEMBL806606 0.76 CYP2A6 (0.38) CYP2A6
SCHEMBL31673173 0.74 CYP2A6 (0.52) CYP2A6MAPTALOX15
SCHEMBL20562778 0.74 ALDH1A1 (0.42) ESR1ESR2KDM4EALDH1A1
SCHEMBL16049280 0.74 CYP2A6 (0.36) CYP2A6
SCHEMBL11886614 0.69 SLC22A12 (0.36) ESR1ESR2
SCHEMBL17182450 0.69 CYP2A6 (0.46) CYP2A6KDM4EALDH1A1MAPTHPGD
SCHEMBL17182542 0.69 CYP2A6 (0.46) CYP2A6KDM4EALDH1A1MAPTHPGD
SCHEMBL20559975 0.68 CYP2A6 (0.58) CYP2A6MAPT
SCHEMBL3759169 0.68 ESR1 (0.33) ESR1ESR2
SCHEMBL806611 0.67 ACHE (0.38) CYP2A6ESR1ESR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254647-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 JANSSEN PHARMACEUTICA NV (BE) 2022-02-22 US disclosed
EP-3421458-B1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2020-11-11 EP disclosed
US-20200317629-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2020-10-08 US disclosed
US-10730847-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 JANSSEN PHARMACEUTICA NV (BE) 2020-08-04 US disclosed
US-20190152937-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2019-05-23 US disclosed
EP-3421458-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 Janssen Pharmaceutica NV (BE) 2019-01-02 EP disclosed
US-10155737-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 JANSSEN PHARMACEUTICA NV (BE) 2018-12-18 US disclosed
EP-2970157-B1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2018-04-25 EP disclosed
US-20170088531-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2017-03-30 US disclosed
US-9562053-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 JANSSEN PHARMACEUTICA NV (BE) 2017-02-07 US disclosed
EP-2970157-A2 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 Janssen Pharmaceutica, N.V. (BE) 2016-01-20 EP disclosed
WO-2014159061-A2 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2014-10-02 WO disclosed
US-20140275172-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 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 (7 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-10155737-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 GPR119, GPR180, GPR55 CYP2A6 2060/4885ESR1 221/4885ESR2 99/4885
US-20200317629-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 GPR119, GPR180, GPR55 CYP2A6 2060/4885ESR1 221/4885ESR2 99/4885
US-20190152937-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 GPR119, GPR180, GPR55 CYP2A6 2060/4885ESR1 221/4885ESR2 99/4885
US-20140275172-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 GPR119, GPR180, GPR55 CYP2A6 2060/4885ESR1 221/4885ESR2 99/4885
US-20170088531-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 GPR119, GPR180, GPR55 CYP2A6 2060/4885ESR1 221/4885ESR2 99/4885
US-11254647-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 GPR119, GPR180, GPR55 CYP2A6 2060/4885ESR1 221/4885ESR2 99/4885
US-10730847-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 GPR119, GPR180, GPR55 CYP2A6 2060/4885ESR1 221/4885ESR2 99/4885

“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.