SCHEMBL23769147

SCHEMBL23769147

OCc1ccc(N2CC3CC3C2)nc1Br

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.38
KLKB1 P03952 10/20 0.36
PDE10A Q9Y233 3/20 0.35
HRH3 Q9Y5N1 1/20 0.32
SORD Q00796 1/20 0.32
RBP4 P02753 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL21713053 0.81 KLKB1 (0.45) SMPD3KLKB1
SCHEMBL23769144 0.81 SMPD3 (0.38) SMPD3KLKB1PDE10AHRH3SORD
SCHEMBL23754045 0.81 KLKB1 (0.34) KLKB1PDE10A
SCHEMBL31357703 0.81 KLKB1 (0.34) KLKB1PDE10A
SCHEMBL23769616 0.79 SMPD3 (0.36) SMPD3KLKB1PDE10ARBP4HCRTR1
SCHEMBL18795018 0.78 BTK (0.43) SMPD3KLKB1PDE10ARBP4
SCHEMBL23769659 0.78 SMPD3 (0.35) SMPD3KLKB1PDE10A
SCHEMBL23768886 0.77 SMPD3 (0.35) SMPD3KLKB1PDE10ARBP4HCRTR1
SCHEMBL23769138 0.75 ALDH1A1 (0.32) KLKB1SORD
SCHEMBL23769283 0.72 PDE10A (0.38) SMPD3KLKB1PDE10ARBP4HCRTR1

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
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
US-20210276976-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-09 US disclosed
WO-2021160716-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 WO 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 (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-20210276976-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, CTRB2 SMPD3 2170/4885KLKB1 1/4885PDE10A 4091/4885
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 SMPD3 1629/4885KLKB1 1/4885PDE10A 3529/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 SMPD3 1629/4885KLKB1 1/4885PDE10A 3529/4885

“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.