SCHEMBL23769333

SCHEMBL23769333

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
KLKB1 P03952 5/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGDS O60760 1/20 0.35
ALKBH2 Q6NS38 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
SCHEMBL23768855 0.85 BTK (0.40) BTKL3MBTL1KLKB1GRIN1GRIN2B
SCHEMBL23843089 0.85 BTK (0.40) BTKL3MBTL1KLKB1GRIN1GRIN2B
SCHEMBL23769182 0.85 BTK (0.40) BTKKLKB1
SCHEMBL23769223 0.84 L3MBTL1 (0.43) BTKL3MBTL1KLKB1GRIN1GRIN2B
SCHEMBL18816571 0.82 BTK (0.57) BTKL3MBTL1KLKB1GRIN1GRIN2B
SCHEMBL23769636 0.81 BTK (0.43) BTKL3MBTL1KLKB1GRIN1GRIN2B
SCHEMBL23769219 0.81 L3MBTL1 (0.40) BTKL3MBTL1KLKB1HSD17B10HPGDS
SCHEMBL23769332 0.81 BTK (0.40) BTKKLKB1
SCHEMBL18794977 0.78 BTK (0.58) BTKKLKB1GRIN1GRIN2BHSD17B10
SCHEMBL18816572 0.77 BTK (0.55) BTKL3MBTL1KLKB1GRIN1GRIN2B

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 1516/4885L3MBTL1 4462/4885KLKB1 1/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 BTK 1516/4885L3MBTL1 4462/4885KLKB1 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.