SCHEMBL23769494

SCHEMBL23769494

CCOC(=O)c1cc(Cc2ccc(N3CC4(CC4)C3)nc2Cl)no1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
SLC26A6 Q9BXS9 3/20 0.35
MAOB P27338 1/20 0.35
ALOX15 P16050 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 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
SCHEMBL23769676 0.89 SLC26A6 (0.36) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL23769271 0.86 EPHX2 (0.31)
SCHEMBL23768922 0.85 KLKB1 (0.41) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL29906637 0.85 KLKB1 (0.41) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL23769506 0.84 MAPT (0.34) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL23769272 0.76 GAA (0.33) SMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL23769694 0.74 KLKB1 (0.39) SMN1; SMN2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL23753974 0.73 KLKB1 (0.47) KMT2APOLB
SCHEMBL23754100 0.73 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1KDM4EHPGDTP53
SCHEMBL23753986 0.73 KLKB1 (0.45) ALDH1A1KDM4ECYP1A2KMT2ALMNA

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 MAPT 3934/4885SMN1; SMN2 4693/4885ALDH1A1 1223/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 MAPT 3934/4885SMN1; SMN2 4693/4885ALDH1A1 1223/4885

“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.