SCHEMBL3308282

SCHEMBL3308282

COc1ccc(C(=O)NC2CCN(C(=O)c3ccc4c(c3)CCN(C)C4)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.55
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
DRD1 P21728 1/20 0.48
DRD5 P21918 1/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TMPRSS2 O15393 1/20 0.46
PRMT5 O14744 3/20 0.46
WDR77 Q9BQA1 3/20 0.46
ALDH1A1 P00352 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CCNK O75909 1/20 0.45
CDK12 Q9NYV4 1/20 0.45

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
SCHEMBL3308274 1.00 KDM5A (0.55) KDM5AKMT2AMEN1L3MBTL1DRD1
SCHEMBL3308295 0.91 KDM5A (0.56) KDM5ADRD1DRD5ALDH1A1
SCHEMBL3308300 0.91 KDM5A (0.56) KDM5ADRD1DRD5ALDH1A1
SCHEMBL3311825 0.88 KDM5A (0.54) KDM5AKMT2AMEN1L3MBTL1TMPRSS2
SCHEMBL3311823 0.88 KDM5A (0.54) KDM5AKMT2AMEN1L3MBTL1TMPRSS2
SCHEMBL3306286 0.84 CCNK (0.49) L3MBTL1ALDH1A1CCNKCDK12
SCHEMBL3306278 0.84 CCNK (0.49) L3MBTL1ALDH1A1CCNKCDK12
SCHEMBL3307390 0.83 KDM5A (0.55) KDM5AL3MBTL1CYP2C19CCNKCDK12
SCHEMBL3307385 0.83 KDM5A (0.55) KDM5AL3MBTL1CYP2C19CCNKCDK12
SCHEMBL13395041 0.81 CCNK (0.43) KMT2AMEN1CYP3A4CYP2C19ALDH1A1

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 KDM5A 2241/4885KMT2A 2818/4885MEN1 1714/4885

“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.