SCHEMBL21736873

SCHEMBL21736873

Cc1nc(N2CC3(CC3)C2)ncc1Cn1cc(C(=O)O)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.36
ALKBH1 Q13686 1/20 0.36
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR1H2 P55055 1/20 0.34
LMNA P02545 1/20 0.33
CASP1 P29466 1/20 0.33
RBP4 P02753 1/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 2/20 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
SCHEMBL21736732 0.89 KLKB1 (0.40) KLKB1POLBSMN1; SMN2NR1H2ALDH1A1
SCHEMBL21736879 0.88 KLKB1 (0.46) KLKB1ALKBH1NR1H2
SCHEMBL21736642 0.83 KLKB1 (0.44) KLKB1ALKBH1NR1H2L3MBTL1HSD17B10
SCHEMBL21736872 0.83 KLKB1 (0.47) KLKB1ALKBH1RBP4
SCHEMBL21736635 0.82 KLKB1 (0.45) KLKB1ALKBH1POLBSMN1; SMN2RBP4
SCHEMBL24918929 0.82 KLKB1 (0.35) KLKB1ALKBH1POLBSMN1; SMN2LMNA
SCHEMBL21736633 0.81 KLKB1 (0.51) KLKB1
SCHEMBL21736622 0.81 KLKB1 (0.48) KLKB1
SCHEMBL21736884 0.78 KLKB1 (0.44) KLKB1POLBSMN1; SMN2NR1H2RBP4
SCHEMBL22166231 0.77 KLKB1 (0.44) KLKB1NR1H2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3837252-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2025-12-10 EP disclosed
EP-3863713-B1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-01-25 EP disclosed
US-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-12-16 US disclosed
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 US disclosed
WO-2020035540-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-02-20 WO disclosed
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-02-20 US 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 (3 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-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, SERPINB1 KLKB1 1/4885ALKBH1 4454/4885POLB 4132/4885
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885ALKBH1 3129/4885POLB 3970/4885
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885ALKBH1 3129/4885POLB 3970/4885

“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.