SCHEMBL3761869

SCHEMBL3761869

CC1CCCCN1Cc1ccc(C(=O)NCCc2ccccc2)n1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 4/20 0.48
HSD17B10 Q99714 3/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 2/20 0.48
GLA P06280 2/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
TSHR P16473 3/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL3772602 0.84 NPC1 (0.53) GAANPC1RAB9AKDM4EALDH1A1
SCHEMBL3762994 0.82 NPC1 (0.51) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL3756215 0.82 KDM4E (0.44) GAAKDM4EALDH1A1KMT2AHSD17B10
SCHEMBL3761870 0.78 KDM4E (0.47) GAAKDM4EALDH1A1KMT2AHSD17B10
SCHEMBL3756217 0.77 KDM4E (0.45) GAAKDM4EALDH1A1KMT2AHSD17B10
SCHEMBL3766365 0.77 ALDH1A1 (0.45) GAANPSR1KDM4EALDH1A1KMT2A
SCHEMBL3757416 0.76 ALDH1A1 (0.44) GAANPSR1KDM4EALDH1A1KMT2A
SCHEMBL3761968 0.72 TP53 (0.49) GAARAB9AKDM4EALDH1A1KMT2A
SCHEMBL5188684 0.71 KDM4E (0.45) GAAKDM4EALDH1A1KMT2AHSD17B10
SCHEMBL3874012 0.71 HRH3 (0.61) NPC1RAB9AKMT2AMEN1MAPT

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 GAA 574/4885NPC1 2758/4885RAB9A 1104/4885

“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.