SCHEMBL3308485

SCHEMBL3308485

CC(Cc1ccccc1)OC(=O)N1CCn2nc(C(=O)O)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.42
▸ CYP4A11 Q02928 1/20 0.42
▸ GRM5 P41594 14/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ CHRM1 P11229 1/20 0.37

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
SCHEMBL4751289 0.90 HSD17B10 (0.39) CYP4F2CYP4A11HSD17B10CHRM1
SCHEMBL25411353 0.82 MEN1 (0.48) CYP4F2CYP4A11GRM5
SCHEMBL12335631 0.74 NR1H2 (0.46) CYP4F2CYP4A11GRM5HDAC6
SCHEMBL3313601 0.73 L3MBTL1 (0.45) CHRM1
SCHEMBL25413038 0.73 HDAC6 (0.46) HDAC6
SCHEMBL25412001 0.73 GRM5 (0.46) CYP4F2CYP4A11GRM5HDAC6
SCHEMBL17112982 0.72 MEN1 (0.50) GRM5
SCHEMBL9800577 0.72 HPGD (0.52) HSD17B10CHRM1
SCHEMBL25411788 0.72 MEN1 (0.42) —
SCHEMBL16217178 0.70 MEN1 (0.48) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309542-B2 Substituted pyrrolidine amides, the production thereof, and the use thereof as medications BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-13 — — US disclosed
US-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 — — US disclosed
WO-2008135526-A1 CARBOXYLIC ACID AMIDES AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 — — 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 (1 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-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS DDC, GLS, UROD CYP4F2 237/4885CYP4A11 759/4885GRM5 296/4885

“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.

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