SCHEMBL14486103

SCHEMBL14486103

CCCCOC(=O)N[C@H](Cc1ccc(OCC)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.56
ITGA2B P08514 14/20 0.56
ITGB1 P05556 3/20 0.56
ITGA4 P13612 3/20 0.56
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL14486107 1.00 ITGB3 (0.56) ITGB3ITGA2BITGB1ITGA4MAPK1
SCHEMBL1907653 0.89 ITGB3 (0.53) ITGB3ITGA2BITGB1ITGA4
SCHEMBL2320402 0.89 FPR2 (0.54) ITGB3ITGA2BITGB1ITGA4
SCHEMBL8485515 0.89 FPR2 (0.54) ITGB3ITGA2BITGB1ITGA4
SCHEMBL10638413 0.88 ITGB3 (0.67) ITGB3ITGA2B
SCHEMBL14485365 0.88 ITGB3 (0.54) ITGB3ITGA2BITGB1ITGA4GAA
SCHEMBL5085763 0.87 ITGB1 (0.56) ITGB3ITGA2BITGB1ITGA4
SCHEMBL5086266 0.87 ITGB1 (0.56) ITGB3ITGA2BITGB1ITGA4
SCHEMBL2252894 0.87 FOLH1 (0.56) ITGB3ITGA2BITGB1ITGA4MAPK1
SCHEMBL2252892 0.87 FOLH1 (0.56) ITGB3ITGA2BITGB1ITGA4MAPK1

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
EP-2729443-B3 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2020-02-12 EP disclosed
EP-2870137-B1 POLYMORPHS OF N-[(R)-1-[(S)-1-(4-AMINOMETHYL-BENZYLCARBAMOYL)-2-PHENYL-ETHYLCARBAMOYL]-2-(4-ETHOXY-PHENYL)-ETHYL]-BENZAMIDE HYDROCHLORIDE KALVISTA PHARMACEUTICALS LTD (GB) 2018-05-16 EP disclosed
US-9512065-B2 Polymorphs of N-[(R)-1-[(S)-1-(4-aminomethyl-benzylcarbamoyl)-2-phenyl-ethylcarbamoyl]-2-(4-ethoxy-phenyl)-ethyl]-benzamide hydrochloride KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-12-06 US disclosed
US-9234000-B2 Benzylamine derivatives as inhibitors of plasma kallikrein KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-01-12 US disclosed
EP-2729443-B1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2015-11-25 EP disclosed
US-20150225450-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2015-08-13 US disclosed
US-20150191421-A1 POLYMORPHS OF N-[(R)-1-[(S)-1-(4-AMINOMETHYL-BENZYLCARBAMOYL)-2-PHENYL-ETHYLCARBAMOYL]-2-(4-ETHOXY-PHENYL)-ETHYL]-BENZAMIDE HYDROCHLORIDE KALVISTA PHARMACEUTICALS LIMITED (GB) 2015-07-09 US disclosed
US-9051249-B2 Benzylamine derivatives as inhibitors of plasma kallikrein KALVISTA PHARMACEUTICALS LIMITED (GB) 2015-06-09 US disclosed
EP-2870137-A1 POLYMORPHS OF N-[(R)-1 -[(S)-1-(4-AMINOMETHYL-BENZYLCARBAMOYL)-2-PHENYL-ETHYLCARBAMOY L]-2-(4-E THOXY-PHENYL)-ETHYL]-BENZAMIDE HYDROCHLORIDE Kalvista Pharmaceuticals Limited (GB) 2015-05-13 EP disclosed
US-20140213611-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LIMITED (GB) 2014-07-31 US disclosed
EP-2729443-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN Kalvista Pharmaceuticals Limited (GB) 2014-05-14 EP disclosed
WO-2014006414-A1 POLYMORPHS OF|N-[(R)-1 -[(S)-1-(4-AMINOMETHYL-BENZYLCARBAMOYL)-2-PHENYL-ETHYLCARBAMOY L]-2-(4-E|THOXY-PHENYL)-ETHYL]-BENZAMIDE HYDROCHLORIDE KALVISTA PHARMACEUTICALS LIMITED (GB) 2014-01-09 WO disclosed
WO-2013005045-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LIMITED (GB) 2013-01-10 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-20150191421-A1 POLYMORPHS OF N-[(R)-1-[(S)-1-(4-AMINOMETHYL-BENZYLCARBAMOYL)-2-PHENYL-ETHYLCARBAMOYL]-2-(4-ETHOXY-PHENYL)-ETHYL]-BENZAMIDE HYDROCHLORIDE SCN1A, SCN1B, BBC3 ITGB3 1449/4885ITGA2B 962/4885ITGB1 940/4885
US-20150225450-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, BDKRB1 ITGB3 2699/4885ITGA2B 2921/4885ITGB1 2359/4885
US-20140213611-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, BDKRB1 ITGB3 2699/4885ITGA2B 2921/4885ITGB1 2359/4885

“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.