SCHEMBL23769676

SCHEMBL23769676

CCOC(=O)c1cc(Cc2ccc(N3CC4(CC4)C3)nc2CC)no1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC26A6 Q9BXS9 12/20 0.36
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CA P42336 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL23769494 0.89 MAPT (0.37) SLC26A6MAPTALOX15TP53KDM4E
SCHEMBL23769272 0.88 GAA (0.33) ALDH1A1HPGDSMN1; SMN2
SCHEMBL23768910 0.85 KLKB1 (0.41) SLC26A6MAPTALDH1A1PIK3CARAB9A
SCHEMBL23769464 0.84 KLKB1 (0.33) SLC26A6ALDH1A1L3MBTL1
SCHEMBL23843172 0.83 PDE10A (0.33) SLC26A6ALDH1A1PIK3CARAB9ATDP1
SCHEMBL23769298 0.78 KLKB1 (0.41) MAPTKDM4EALDH1A1PIK3CARAB9A
SCHEMBL23769297 0.78 KLKB1 (0.34) MAPTKDM4EALDH1A1HPGDPIK3CA
SCHEMBL23769271 0.74 EPHX2 (0.31)
SCHEMBL29906568 0.73 ALDH1A1 (0.49) TP53KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL29906636 0.73 KLKB1 (0.47) KDM4EALDH1A1RAB9A

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 SLC26A6 3774/4885MAPT 3934/4885ALOX15 1446/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 SLC26A6 3774/4885MAPT 3934/4885ALOX15 1446/4885

“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.