SCHEMBL23769283

SCHEMBL23769283

O=Cc1ccc(N2CC3CC3C2)nc1Br

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.38
SMPD3 Q9NY59 3/20 0.38
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
RBP4 P02753 1/20 0.31
KLKB1 P03952 1/20 0.30

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
SCHEMBL21712992 0.83 SMPD3 (0.39) PDE10ASMPD3RBP4KLKB1
SCHEMBL31357761 0.81 PDE10A (0.38) PDE10ASMPD3HCRTR1HCRTR2RBP4
SCHEMBL23753985 0.81 PDE10A (0.38) PDE10ASMPD3HCRTR1HCRTR2RBP4
SCHEMBL23769666 0.81 PDE10A (0.38) PDE10ASMPD3HCRTR1HCRTR2RBP4
SCHEMBL23769213 0.81 TRIM24 (0.33) PDE10ATRIM24TRIM33
SCHEMBL23769667 0.79 PDE10A (0.36) PDE10ASMPD3HCRTR1HCRTR2RBP4
SCHEMBL31357751 0.78 SMPD3 (0.36) PDE10ASMPD3HCRTR1HCRTR2RBP4
SCHEMBL23754003 0.78 SMPD3 (0.36) PDE10ASMPD3HCRTR1HCRTR2RBP4
SCHEMBL23769651 0.75 TRIM24 (0.35) TRIM24TRIM33
SCHEMBL23769214 0.74 MAP3K12 (0.30)

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-2021160718-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 WO disclosed
WO-2021160716-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 PDE10A 4091/4885SMPD3 2170/4885TRIM24 4078/4885
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 PDE10A 3529/4885SMPD3 1629/4885TRIM24 3834/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 PDE10A 3529/4885SMPD3 1629/4885TRIM24 3834/4885

“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.