SCHEMBL3756215

SCHEMBL3756215

CC1CCCCN1Cc1ccc(C(=O)NC(C)(C)Cc2ccccc2)n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
CNR2 P34972 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DPP4 P27487 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3761869 0.82 GAA (0.50) KDM4EPOLBMEN1KMT2AITGA4
SCHEMBL3761870 0.77 KDM4E (0.47) KDM4EPOLBMEN1KMT2AITGA4
SCHEMBL3756217 0.75 KDM4E (0.45) KDM4EPOLBMEN1KMT2ASCN1A
SCHEMBL3766365 0.75 ALDH1A1 (0.45) KDM4EPOLBMEN1KMT2ASCN1A
SCHEMBL3757416 0.74 ALDH1A1 (0.44) KDM4EPOLBMEN1KMT2ASCN1A
SCHEMBL5188684 0.69 KDM4E (0.45) KDM4EPOLBMEN1KMT2AITGA4
SCHEMBL4657753 0.69 ALDH1A1 (0.48) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL18779478 0.69 ALDH1A1 (0.71) KDM4EPOLBKMT2AALDH1A1HRH3
SCHEMBL6694425 0.69 ALDH1A1 (0.71) KDM4EPOLBKMT2AALDH1A1HRH3
SCHEMBL30596558 0.69 ALDH1A1 (0.71) KDM4EPOLBKMT2AALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751101-B1 Substituted 5-aminomethyl-1H-pyrrole-2-carboxylic acid amides GRUENENTHAL GMBH (DE) 2012-11-14 EP claimed
US-7842812-B2 Substituted 5-aminomethy1-1H-pyrrole-2-carboxylic acid amides GRUENENTHAL GMBH (DE) 2010-11-30 US claimed
US-20070135494-A1 Substituted 5-aminomethyl-1H-pyrrole-2-carboxylic acid amides GRUENENTHAL GMBH (DE) 2007-06-14 US claimed
US-7842812-B2 Substituted 5-aminomethy1-1H-pyrrole-2-carboxylic acid amides GRUENENTHAL GMBH (DE) 2010-11-30 US disclosed
US-20070135494-A1 Substituted 5-aminomethyl-1H-pyrrole-2-carboxylic acid amides GRUENENTHAL GMBH (DE) 2007-06-14 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-20070135494-A1 Substituted 5-aminomethyl-1H-pyrrole-2-carboxylic acid amides AVPR2, GPR119, AVPR1B KDM4E 1162/4885POLB 1190/4885MEN1 2122/4885

“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.