SCHEMBL17786970

SCHEMBL17786970

COCc1nn(Cc2ccc(N3CCCC3)nc2)cc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 16/20 0.59
▸ F11 P03951 9/20 0.54
▸ F2 P00734 1/20 0.43
▸ CACNA1H O95180 1/20 0.43

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
SCHEMBL17786820 0.92 KLKB1 (0.53) KLKB1F11CACNA1H
SCHEMBL17786819 0.86 KLKB1 (0.56) KLKB1F11F2
SCHEMBL16246763 0.82 KLKB1 (0.61) KLKB1F11CACNA1H
SCHEMBL28339182 0.82 KLKB1 (0.59) KLKB1F11F2CACNA1H
SCHEMBL18725232 0.82 KLKB1 (0.47) KLKB1F11CACNA1H
SCHEMBL17787030 0.81 KLKB1 (0.46) KLKB1
SCHEMBL16246724 0.80 KLKB1 (0.63) KLKB1F11
SCHEMBL16246851 0.80 KLKB1 (0.60) KLKB1
SCHEMBL31339412 0.80 KLKB1 (0.63) KLKB1F11
SCHEMBL18725234 0.78 KLKB1 (0.46) KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084809-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-08-10 — — US disclosed
US-11001578-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-05-11 — — US disclosed
US-20200361923-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Kallikrein Inhibitors DRI UK LP (KY) 2020-11-19 — — US disclosed
US-10611758-B2 N-((het)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2020-04-07 — — US disclosed
US-20190330200-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS KALLIKREIN INHIBITORS DRI UK LP (KY) 2019-10-31 — — US disclosed
US-20190300517-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Plasma Kallikrein Inhibitors DRI UK LP (KY) 2019-10-03 — — US disclosed
US-10364238-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2019-07-30 — — US disclosed
US-20180319782-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS DRI UK LP (KY) 2018-11-08 — — US disclosed
WO-2016083816-A1 N-((HETEROARYLMETHYL)-HETEROARYL-CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-06-02 — — 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 (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-20180319782-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 KLKB1 1/4885F11 55/4885F2 19/4885
US-10611758-B2 N-((het)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 KLKB1 1/4885F11 65/4885F2 32/4885
US-10364238-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 KLKB1 1/4885F11 55/4885F2 19/4885
US-20190300517-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Plasma Kallikrein Inhibitors KLKB1, BDKRB1, BDKRB2 KLKB1 1/4885F11 65/4885F2 22/4885
US-20200361923-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Kallikrein Inhibitors KLKB1, BDKRB1, BDKRB2 KLKB1 1/4885F11 65/4885F2 32/4885
US-20190330200-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 KLKB1 1/4885F11 65/4885F2 32/4885
US-11001578-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 KLKB1 1/4885F11 65/4885F2 22/4885
US-11084809-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 KLKB1 1/4885F11 65/4885F2 32/4885

“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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