SCHEMBL3757414

SCHEMBL3757414

CC1CCCCN1Cc1ccc(C2CCCCN2C=O)n1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.40
CXCR4 P61073 6/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 2/20 0.37
HRH3 Q9Y5N1 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM2 P08172 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL3766363 0.99 ALDH1A1 (0.40) ALDH1A1KDM4ECXCR4NPSR1POLB
SCHEMBL3762343 0.81 HRH3 (0.33) HRH3
SCHEMBL3757507 0.75 CCR3 (0.47) ALDH1A1KDM4EHRH3KMT2ASMN1; SMN2
SCHEMBL5175965 0.73 ALDH1A1 (0.43) ALDH1A1KDM4ECXCR4NPSR1POLB
SCHEMBL5177492 0.73 ALDH1A1 (0.43) ALDH1A1KDM4ECXCR4NPSR1POLB
SCHEMBL3766365 0.70 ALDH1A1 (0.45) ALDH1A1KDM4ENPSR1POLBHRH3
SCHEMBL3763786 0.70 PRMT5 (0.45) ALDH1A1KDM4ENPSR1POLBMAPT
SCHEMBL3757416 0.69 ALDH1A1 (0.44) ALDH1A1KDM4ENPSR1POLBHRH3
SCHEMBL28725982 0.66 PRMT5 (0.41) ALDH1A1KDM4ENPSR1POLBMAPT
SCHEMBL4657753 0.64 ALDH1A1 (0.48) ALDH1A1KDM4ENPSR1POLBHRH3

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-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 ALDH1A1 1027/4885KDM4E 1162/4885CXCR4 2047/4885

“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.