SCHEMBL15901579

SCHEMBL15901579

NCc1ccc(CNC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)C(N)Cc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 12/20 0.56
▸ KLK1 P06870 3/20 0.42
▸ BACE1 P56817 1/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ TMEM97 Q5BJF2 2/20 0.41
▸ MCHR1 Q99705 1/20 0.41

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
SCHEMBL14485575 1.00 KLKB1 (0.56) KLKB1KLK1BACE1PSMB5KCNH2
SCHEMBL17268030 0.89 KLKB1 (0.55) KLKB1KLK1PSMB5
SCHEMBL17268029 0.89 KLKB1 (0.55) KLKB1KLK1PSMB5
SCHEMBL14485474 0.83 KLKB1 (0.71) KLKB1KLK1
SCHEMBL15901761 0.83 KLKB1 (0.71) KLKB1KLK1
SCHEMBL14485578 0.81 KLKB1 (0.55) KLKB1BACE1KCNH2TMEM97
SCHEMBL15901636 0.79 KLKB1 (0.56) KLKB1KLK1
SCHEMBL14485428 0.79 KLKB1 (0.56) KLKB1KLK1
SCHEMBL15901128 0.76 KLKB1 (0.69) KLKB1KLK1
SCHEMBL3149376 0.75 MASP2 (0.43) KLKB1KLK1PSMB5

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 6 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
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-9051249-B2 Benzylamine derivatives as inhibitors of plasma kallikrein KALVISTA PHARMACEUTICALS LIMITED (GB) 2015-06-09 — — US disclosed
US-20140213611-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LIMITED (GB) 2014-07-31 — — 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-20150225450-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, BDKRB1 KLKB1 1/4885KLK1 2/4885BACE1 451/4885
US-20140213611-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, BDKRB1 KLKB1 1/4885KLK1 2/4885BACE1 451/4885

“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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