SCHEMBL23769138

SCHEMBL23769138

OCc1ccc(N2CC3(CC3)C2)nc1Br

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 3/20 0.32
TSHR P16473 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP1A2 P05177 1/20 0.32
SORD Q00796 1/20 0.32
TRPV3 Q8NET8 1/20 0.31
USP2 O75604 1/20 0.31
KLKB1 P03952 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
SCHEMBL23753976 0.81 ALDH1A1 (0.32) ALDH1A1HPGDHSD17B10TSHRHIF1A
SCHEMBL31033204 0.81 KLKB1 (0.40) ALDH1A1HPGDHSD17B10TSHRHIF1A
SCHEMBL21712931 0.81 KLKB1 (0.40) ALDH1A1HPGDHSD17B10TSHRHIF1A
SCHEMBL31357730 0.79 TRPV3 (0.34) ALDH1A1HPGDHSD17B10TSHRHIF1A
SCHEMBL23754040 0.79 TRPV3 (0.34) ALDH1A1HPGDHSD17B10TSHRHIF1A
SCHEMBL23769147 0.75 SMPD3 (0.38) SORDKLKB1
SCHEMBL23754045 0.75 KLKB1 (0.34) KLKB1
SCHEMBL31357703 0.75 KLKB1 (0.34) KLKB1
SCHEMBL23769199 0.73 KLKB1 (0.44) ALDH1A1HPGDHSD17B10TSHRHIF1A
SCHEMBL23769195 0.73 KLKB1 (0.47) HSD17B10USP2KLKB1

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 ALDH1A1 1223/4885HPGD 407/4885HSD17B10 725/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 ALDH1A1 1223/4885HPGD 407/4885HSD17B10 725/4885

“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.