SCHEMBL18795018

SCHEMBL18795018

OCc1ccc(N2CC3CC3C2)nc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.43
RBP4 P02753 2/20 0.38
KLKB1 P03952 3/20 0.37
GRIN2B Q13224 3/20 0.36
SMPD3 Q9NY59 2/20 0.35
PDE10A Q9Y233 2/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
ACACB O00763 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL18795007 0.86 BTK (0.41) BTKRBP4KLKB1GRIN2BSMPD3
SCHEMBL23769144 0.78 SMPD3 (0.38) RBP4KLKB1SMPD3PDE10A
SCHEMBL21713053 0.78 KLKB1 (0.45) KLKB1SMPD3
SCHEMBL23769147 0.78 SMPD3 (0.38) RBP4KLKB1SMPD3PDE10A
SCHEMBL23769616 0.75 SMPD3 (0.36) RBP4KLKB1GRIN2BSMPD3PDE10A
SCHEMBL23769659 0.74 SMPD3 (0.35) KLKB1SMPD3PDE10A
SCHEMBL23768886 0.73 SMPD3 (0.35) RBP4KLKB1SMPD3PDE10A
SCHEMBL18815297 0.71 BTK (0.58) BTKKLKB1
SCHEMBL18816600 0.71 BTK (0.58) BTKKLKB1
SCHEMBL23769165 0.70 BTK (0.44) BTKRBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368524-B1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-08-18 EP disclosed
EP-3368524-B1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-08-18 EP disclosed
US-10640486-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-05-05 US disclosed
US-10640486-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-05-05 US disclosed
US-20180319771-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-08 US disclosed
EP-3368524-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Boehringer Ingelheim International GmbH (DE) 2018-09-05 EP disclosed
WO-2017072021-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-04 WO disclosed
WO-2017072021-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-04 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 (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-10640486-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 BTK 3335/4885RBP4 1196/4885KLKB1 1/4885
US-20180319771-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 BTK 3335/4885RBP4 1196/4885KLKB1 1/4885

“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.