SCHEMBL23769368

SCHEMBL23769368

CCOC(=O)c1cc(Cc2ccc(N3CC4CC4C3)nc2CC)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.39
KLKB1 P03952 11/20 0.37
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGDS O60760 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.36
TP53 P04637 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL23754021 0.89 ALPL (0.43) ALPLKLKB1MAPTNPC1RAB9A
SCHEMBL29906578 0.89 ALPL (0.43) ALPLKLKB1MAPTNPC1RAB9A
SCHEMBL23769648 0.88 KLKB1 (0.39) ALPLKLKB1HCRTR1HCRTR2
SCHEMBL23768910 0.82 KLKB1 (0.41) KLKB1MAPTRAB9AL3MBTL1KMT2A
SCHEMBL29906631 0.81 KLKB1 (0.39) KLKB1NPC1RAB9AL3MBTL1KMT2A
SCHEMBL23769371 0.81 KLKB1 (0.41) KLKB1MAPTNPC1RAB9AKMT2A
SCHEMBL23769127 0.81 KLKB1 (0.39) KLKB1NPC1RAB9AL3MBTL1KMT2A
SCHEMBL23768929 0.77 ALDH1A1 (0.39) KLKB1MAPTNPC1RAB9AL3MBTL1
SCHEMBL23769298 0.76 KLKB1 (0.41) KLKB1MAPTNPC1RAB9AL3MBTL1
SCHEMBL23768950 0.74 SMPD3 (0.39) KLKB1HCRTR1HCRTR2PDE10A

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 ALPL 3788/4885KLKB1 1/4885MAPT 3934/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 ALPL 3788/4885KLKB1 1/4885MAPT 3934/4885

“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.