SCHEMBL23769182

SCHEMBL23769182

CCOC(=O)c1cnn(Cc2ccc(N3CC4CC4C3)cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.40
GRM2 Q14416 1/20 0.39
KLKB1 P03952 7/20 0.38
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL23769151 0.87 KLKB1 (0.40) BTKGRM2KLKB1ALDH1A1TSHR
SCHEMBL23769311 0.86 KLKB1 (0.38) BTKGRM2KLKB1ALDH1A1TSHR
SCHEMBL23769333 0.85 BTK (0.43) BTKKLKB1
SCHEMBL18795038 0.84 BTK (0.52) BTKGRM2KLKB1
SCHEMBL29906566 0.84 KLKB1 (0.41) BTKGRM2KLKB1ALDH1A1TSHR
SCHEMBL29906560 0.84 GRM2 (0.39) GRM2KLKB1ALDH1A1TSHRSMN1; SMN2
SCHEMBL23768894 0.84 KLKB1 (0.41) BTKGRM2KLKB1ALDH1A1TSHR
SCHEMBL23769286 0.84 GRM2 (0.39) GRM2KLKB1ALDH1A1TSHRSMN1; SMN2
SCHEMBL23769178 0.83 ALDH1A1 (0.51) BTKKLKB1ALDH1A1TSHRSMN1; SMN2
SCHEMBL18816485 0.80 BTK (0.51) BTKGRM2KLKB1ACACB

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 BTK 1516/4885GRM2 4051/4885KLKB1 1/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 BTK 1516/4885GRM2 4051/4885KLKB1 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.