SCHEMBL3764094

SCHEMBL3764094

CN(C(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)n1C)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CCR3 P51677 2/20 0.46
GAA P10253 2/20 0.45
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
OPRM1 P35372 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CCR5 P51681 1/20 0.43

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
SCHEMBL3757509 0.82 MEN1 (0.54) HRH3MEN1KMT2ACCR3GAA
SCHEMBL3763647 0.80 HDAC3 (0.50) MEN1KMT2ACCR3
SCHEMBL3762996 0.78 ACHE (0.49) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL4658026 0.78 CCR3 (0.63) HRH3CCR3GAAKDM4EHTT
SCHEMBL4657913 0.73 CCR3 (0.56) CCR3GAAKDM4EHTTALDH1A1
SCHEMBL5188520 0.73 CCR3 (0.48) MEN1KMT2ACCR3KDM4EMAPT
SCHEMBL4658054 0.71 CCR3 (0.60) CCR3GAAHTTALDH1A1
SCHEMBL3761870 0.69 KDM4E (0.47) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL5163035 0.69 CCR3 (0.50) CCR3GAAKDM4EHTTALDH1A1
SCHEMBL3757507 0.69 CCR3 (0.47) HRH3MEN1KMT2ACCR3KDM4E

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-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 HRH3 336/4885MEN1 2122/4885KMT2A 1381/4885

“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.