SCHEMBL23769142

SCHEMBL23769142

CCOC(=O)c1cn(Cc2ccc(N3CC4CC4C3)nc2OC(F)(F)F)cn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.44
CYP2D6 P10635 2/20 0.36
SLC6A9 P48067 2/20 0.36
KCNH2 Q12809 2/20 0.36
SLC6A5 Q9Y345 2/20 0.36
PDE10A Q9Y233 1/20 0.35
NOTUM Q6P988 1/20 0.35
SCD O00767 1/20 0.35
RBP4 P02753 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KMT2A Q03164 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 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
SCHEMBL23768854 0.88 KLKB1 (0.43) KLKB1RBP4
SCHEMBL23769406 0.87 KLKB1 (0.48) KLKB1PDE10ANOTUMNPC1RAB9A
SCHEMBL21736652 0.86 KLKB1 (0.47) KLKB1
SCHEMBL23768924 0.85 KLKB1 (0.48) KLKB1PDE10ANOTUMNPC1RAB9A
SCHEMBL23843141 0.84 KLKB1 (0.45) KLKB1PDE10ANOTUMNPC1RAB9A
SCHEMBL23754065 0.84 KLKB1 (0.45) KLKB1PDE10ANOTUMNPC1RAB9A
SCHEMBL23769149 0.84 KLKB1 (0.45) KLKB1PDE10ANOTUMNPC1RAB9A
SCHEMBL23769407 0.84 KLKB1 (0.60) KLKB1NOTUMNPC1RAB9AKDM4E
SCHEMBL23769370 0.84 KLKB1 (0.45) KLKB1PDE10ANOTUMNPC1RAB9A
SCHEMBL29906530 0.84 KLKB1 (0.45) KLKB1PDE10ANOTUMNPC1RAB9A

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-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-23 US disclosed
WO-2021160718-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 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-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885CYP2D6 723/4885SLC6A9 3217/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885CYP2D6 723/4885SLC6A9 3217/4885

“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.