SCHEMBL23769371

SCHEMBL23769371

CCOC(=O)c1cc(Cc2ccc(N3CC4CC4C3)nc2CC)nn1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 8/20 0.41
LMNA P02545 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 1/20 0.35
FAAH O00519 2/20 0.35
KDM4E B2RXH2 2/20 0.34
PDE10A Q9Y233 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE5A O76074 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL23769372 0.91 KLKB1 (0.48) KLKB1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL23769127 0.91 KLKB1 (0.39) KLKB1NPC1RAB9ASMN1; SMN2FAAH
SCHEMBL29906631 0.91 KLKB1 (0.39) KLKB1NPC1RAB9ASMN1; SMN2FAAH
SCHEMBL23769649 0.88 KLKB1 (0.43) KLKB1KDM4EMEN1KMT2AHCRTR1
SCHEMBL23769416 0.83 KLKB1 (0.47) KLKB1SMN1; SMN2FAAHPOLB
SCHEMBL23768910 0.82 KLKB1 (0.41) KLKB1RAB9AMAPTPDE10AMEN1
SCHEMBL23769368 0.81 ALPL (0.39) KLKB1NPC1RAB9AMAPTPDE10A
SCHEMBL23843105 0.81 KLKB1 (0.43) KLKB1NPC1HCRTR1HCRTR2
SCHEMBL23769647 0.80 KLKB1 (0.54) KLKB1
SCHEMBL23769712 0.80 KLKB1 (0.34) KLKB1LMNANPC1RAB9ASMN1; SMN2

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 1/4885LMNA 2081/4885NPC1 2426/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885LMNA 2081/4885NPC1 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.