SCHEMBL21644971

SCHEMBL21644971

COC(=O)CC(c1cccc(N=C(c2ccccc2)c2ccccc2)c1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.40
ITGAV P06756 4/20 0.40
KCNA5 P22460 3/20 0.40
FFAR1 O14842 7/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
F2 P00734 2/20 0.38
F10 P00742 2/20 0.38
PRSS1 P07477 2/20 0.38
ITGA2B P08514 1/20 0.36

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
SCHEMBL20103480 1.00 ITGB3 (0.40) ITGB3ITGAVKCNA5FFAR1MEN1
SCHEMBL21645011 0.87 FFAR1 (0.52) ITGB3ITGAVFFAR1ALDH1A1ITGA2B
SCHEMBL22717404 0.82 FFAR1 (0.43) KCNA5FFAR1MEN1ALDH1A1MAPK1
SCHEMBL22717401 0.82 FFAR1 (0.43) KCNA5FFAR1MEN1ALDH1A1MAPK1
SCHEMBL29454586 0.82 FFAR1 (0.43) KCNA5FFAR1MEN1ALDH1A1MAPK1
SCHEMBL21688300 0.80 FFAR1 (0.56) KCNA5FFAR1MEN1ALDH1A1KMT2A
SCHEMBL18501542 0.77 FFAR1 (0.43) KCNA5FFAR1KMT2A
SCHEMBL2501419 0.77 OPRD1 (0.48) KCNA5FFAR1
SCHEMBL2504416 0.77 OPRD1 (0.48) KCNA5FFAR1
SCHEMBL29454615 0.77 OPRD1 (0.48) KCNA5FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2021-04-27 US disclosed
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2021-04-27 US disclosed
US-20200039914-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN RESEARCH & DEVELOPMENT, LLC 2020-02-06 US disclosed
US-20200039914-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN RESEARCH & DEVELOPMENT, LLC 2020-02-06 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 (2 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-20200039914-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR55 ITGB3 3291/4885ITGAV 3669/4885KCNA5 1705/4885
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes GPR119, GPR65, GPR55 ITGB3 3291/4885ITGAV 3669/4885KCNA5 1705/4885

“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.