SCHEMBL3308490

SCHEMBL3308490

CCOC(=O)c1cc2n(n1)CCN(C(=O)O)C2.c1cc2cc(c1)C2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 8/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 2/20 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
SCHEMBL26969122 0.91 HDAC6 (0.43) GRM5HDAC6CYP1A2LMNATP53
SCHEMBL3313601 0.80 L3MBTL1 (0.45) KMT2AGAAMEN1
SCHEMBL27141147 0.76 NR1H2 (0.45) HDAC6LMNATP53KMT2AGAA
SCHEMBL3309074 0.76 CYP1A2 (0.40) HDAC6CYP1A2KMT2AGAAMEN1
SCHEMBL2524047 0.75 HDAC6 (0.70) GRM5HDAC6LMNATP53KMT2A
SCHEMBL25686948 0.75 CYP1A2 (0.39) HDAC6CYP1A2LMNATP53KMT2A
SCHEMBL24812522 0.75 RAB9A (0.37) HDAC6CYP1A2LMNAKMT2AGAA
SCHEMBL2527787 0.73 GABRP (0.44) GRM5HDAC6LMNAKMT2AALDH1A1
SCHEMBL25412001 0.73 GRM5 (0.46) GRM5HDAC6
SCHEMBL4751287 0.72 L3MBTL1 (0.46) GRM5CYP1A2KMT2AGAAMEN1

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 2 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

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 GRM5 296/4885HDAC6 2754/4885CYP1A2 354/4885

“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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