SCHEMBL23769366

SCHEMBL23769366

CCc1nc(N2CC3CC3C2)ccc1Cc1ccc(C(=O)O)s1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.40
RBP4 P02753 5/20 0.36
PTGER2 P43116 7/20 0.33
PTGER4 P35408 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGER3 P43115 5/20 0.32
PTGDR Q13258 3/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
PTGER1 P34995 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
SCHEMBL23768929 0.88 ALDH1A1 (0.39) KLKB1RBP4ALDH1A1MEN1TSHR
SCHEMBL26310284 0.87 PTGER2 (0.35) KLKB1PTGER2PTGER4ALDH1A1HPGD
SCHEMBL23769176 0.87 PTGER2 (0.35) KLKB1PTGER2PTGER4ALDH1A1HPGD
SCHEMBL23768950 0.79 SMPD3 (0.39) KLKB1RBP4HCRTR1HCRTR2
SCHEMBL23830202 0.78 KLKB1 (0.39) KLKB1RBP4HCRTR1HCRTR2
SCHEMBL23769359 0.78 KLKB1 (0.43) KLKB1RBP4HCRTR1HCRTR2
SCHEMBL23769273 0.78 KLKB1 (0.41) KLKB1RBP4HCRTR1HCRTR2
SCHEMBL23769175 0.77 KLKB1 (0.33) KLKB1PTGER2PTGER4
SCHEMBL23769616 0.75 SMPD3 (0.36) KLKB1RBP4HCRTR1HCRTR2
SCHEMBL23754018 0.74 SMPD3 (0.34) KLKB1RBP4HCRTR1HCRTR2

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 1/4885RBP4 3590/4885PTGER2 1420/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885RBP4 3590/4885PTGER2 1420/4885

“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.