SCHEMBL17669372

SCHEMBL17669372

Cc1cc(OC2CCOCC2)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.41
CHRNA3 P32297 1/20 0.40
MAPK1 P28482 1/20 0.40
HBB P68871 1/20 0.40
HRH3 Q9Y5N1 3/20 0.38
PDE10A Q9Y233 4/20 0.38
PDE2A O00408 3/20 0.38
ALK Q9UM73 1/20 0.37
HAO1 Q9UJM8 1/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
FFAR1 O14842 2/20 0.36
GRM5 P41594 1/20 0.36
KAT2B Q92831 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
ACACB O00763 1/20 0.35
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL17669399 0.91 ALK (0.45) CHRNA3HRH3PDE10APDE2AALK
SCHEMBL9966842 0.88 CHRNA3 (0.44) CHRNA3MAPK1HAO1ACACB
SCHEMBL18957032 0.84 RAF1 (0.44) SYKHRH3PDE10APDE2ARAF1
SCHEMBL14857736 0.83 CHRNA3 (0.42) CHRNA3HAO1
SCHEMBL15262629 0.81 SYK (0.41) SYKPDE10APDE2ARAF1BRAF
SCHEMBL31570027 0.81 CHRNA3 (0.43) CHRNA3MAPK1HRH3PDE10APDE2A
SCHEMBL15782898 0.81 SYK (0.44) SYKHRH3PDE10APDE2ARAF1
SCHEMBL30047165 0.81 HRH3 (0.38) SYKHRH3PDE10APDE2AALK
SCHEMBL2836322 0.81 APP (0.43) SYKHRH3ALKFFAR1GRM5
Hydrochloric Acid SCHEMBL31752242 0.79 HRH1 (0.49) HRH3

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-10662170-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2020-05-26 US disclosed
US-10195178-B2 GPR40 agonists in anti-diabetic drug combinations JANSSEN PHARMACEUTICA NV (BE) 2019-02-05 US disclosed
US-10131648-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-11-20 US disclosed
US-10106553-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-10-23 US disclosed
US-20170362196-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-12-21 US disclosed
WO-2017180457-A1 GPR40 AGONISTS IN ANTI-DIABETIC DRUG COMBINATIONS JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 WO disclosed
WO-2017180571-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 WO disclosed
US-9790198-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2017-10-17 US disclosed
US-20170290800-A1 GPR40 AGONISTS IN ANTI-DIABETIC DRUG COMBINATIONS JANSSEN PHARMACEUTICA NV (BE) 2017-10-12 US disclosed
US-20170291908-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-10-12 US disclosed
EP-3204361-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES Janssen Pharmaceutica N.V. (BE) 2017-08-16 EP disclosed
WO-2016057731-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2016-04-14 WO disclosed
US-20160102071-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2016-04-14 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 (8 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-20170290800-A1 GPR40 AGONISTS IN ANTI-DIABETIC DRUG COMBINATIONS GPR119, GLP1R, GPR65 SYK 3484/4885CHRNA3 1422/4885MAPK1 2078/4885
US-20170291908-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR52 SYK 3116/4885CHRNA3 693/4885MAPK1 1953/4885
US-10195178-B2 GPR40 agonists in anti-diabetic drug combinations GPR119, GLP1R, GPR65 SYK 3484/4885CHRNA3 1422/4885MAPK1 2078/4885
US-20170362196-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR52, GPR65 SYK 2684/4885CHRNA3 945/4885MAPK1 1675/4885
US-10662170-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes GPR119, GPR52, GPR65 SYK 2684/4885CHRNA3 945/4885MAPK1 1675/4885
US-10106553-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes GPR119, GPR65, GPR52 SYK 3116/4885CHRNA3 693/4885MAPK1 1953/4885
US-10131648-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes GPR119, GPR52, GPR65 SYK 2684/4885CHRNA3 945/4885MAPK1 1675/4885
US-20160102071-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR52, GPR65 SYK 2684/4885CHRNA3 945/4885MAPK1 1675/4885

“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.