SCHEMBL23769712

SCHEMBL23769712

CCOC(=O)c1cc(C(O)c2ccc(N3CC4CC4C3)nc2CC)nn1C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.34
RAB9A P51151 6/20 0.34
NPC1 O15118 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
FAAH O00519 2/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 3/20 0.33
LMNA P02545 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
HCRTR1 O43613 5/20 0.31
HCRTR2 O43614 5/20 0.31
PDE10A Q9Y233 1/20 0.31
CCR4 P51679 1/20 0.31
IDH1 O75874 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL23769711 0.92 KLKB1 (0.38) KLKB1RAB9ANPC1SMN1; SMN2FAAH
SCHEMBL23843236 0.84 KLKB1 (0.45) KLKB1RAB9A
SCHEMBL23843234 0.84 KLKB1 (0.35) KLKB1RAB9ASMN1; SMN2FAAH
SCHEMBL23769709 0.83 KLKB1 (0.37) KLKB1RAB9ANPC1SMN1; SMN2FAAH
SCHEMBL23769707 0.80 FAAH (0.34) KLKB1RAB9ANPC1SMN1; SMN2FAAH
SCHEMBL23769371 0.80 KLKB1 (0.41) KLKB1RAB9ANPC1SMN1; SMN2FAAH
SCHEMBL23769710 0.79 FAAH (0.35) KLKB1RAB9ANPC1SMN1; SMN2FAAH
SCHEMBL23754333 0.78 CCR4 (0.31) KLKB1CCR4
SCHEMBL30087456 0.78 CCR4 (0.31) KLKB1CCR4
SCHEMBL29906659 0.77 KLKB1 (0.31) KLKB1RAB9ANPC1KDM4ERXFP1

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 KLKB1 1/4885RAB9A 3930/4885NPC1 2426/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885RAB9A 3930/4885NPC1 2426/4885

“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.