SCHEMBL23769415

SCHEMBL23769415

CCOC(=O)c1cc(Cc2ccc(N3CC4C(C3)C4(F)F)nc2C)nn1CC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 9/20 0.39
FAAH O00519 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 3/20 0.32
KDM4E B2RXH2 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PDE10A Q9Y233 1/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL23769393 0.91 FAAH (0.35) KLKB1FAAHSMN1; SMN2POLBRAB9A
SCHEMBL23768877 0.90 KLKB1 (0.42) KLKB1NPC1
SCHEMBL23769416 0.88 KLKB1 (0.47) KLKB1FAAHSMN1; SMN2POLB
SCHEMBL23769694 0.82 KLKB1 (0.39) KLKB1SMN1; SMN2POLBKDM4EPDE10A
SCHEMBL23769708 0.82 FAAH (0.35) KLKB1FAAHSMN1; SMN2POLBRAB9A
SCHEMBL23769465 0.81 KLKB1 (0.42) KLKB1KDM4E
SCHEMBL23769529 0.80 KLKB1 (0.33) KLKB1PDE10A
SCHEMBL23768860 0.79 KLKB1 (0.34) KLKB1
SCHEMBL29906612 0.79 KLKB1 (0.34) KLKB1RAB9ANPC1KDM4ERXFP1
SCHEMBL23769372 0.79 KLKB1 (0.48) KLKB1FAAHSMN1; SMN2RAB9ANPC1

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 1/4885FAAH 162/4885SMN1; SMN2 4693/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885FAAH 162/4885SMN1; SMN2 4693/4885

“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.