SCHEMBL3762346

SCHEMBL3762346

Cn1c(CN2CCCCCC2)ccc1C(=O)N1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.50
HPGD P15428 5/20 0.44
ALDH1A1 P00352 3/20 0.44
CHKA P35790 1/20 0.42
GAA P10253 1/20 0.41
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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) HRH3ALDH1A1GAAKDM4E
SCHEMBL3757416 0.79 ALDH1A1 (0.44) HRH3HPGDALDH1A1GAAKDM4E
SCHEMBL4659048 0.79 HRH3 (0.54) HRH3ALDH1A1KDM4E
SCHEMBL3766365 0.77 ALDH1A1 (0.45) HRH3HPGDALDH1A1GAAKDM4E
SCHEMBL4657901 0.77 HRH3 (0.50) HRH3ALDH1A1KDM4E
SCHEMBL31369352 0.75 LMNA (0.50) HPGDALDH1A1GAAKDM4E
SCHEMBL3761968 0.73 TP53 (0.49) HPGDALDH1A1GAAKDM4E
N-Benzylmethylamine SCHEMBL5556336 0.72 NCF1 (0.50) HRH3KDM4E
SCHEMBL13684982 0.71 SRC (0.47) HRH3HPGDALDH1A1
SCHEMBL3772602 0.71 NPC1 (0.53) HRH3HPGDALDH1A1GAAKDM4E

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 10 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
EP-1751101-A1 SUBSTITUTED 5-AMINOMETHYL-1H-PYRROL-2-CARBXYLIC ACID AMIDES Grünenthal GmbH (DE) 2007-02-14 EP claimed
WO-2005113497-A1 SUBSTITUTED 5-AMINOMETHYL-1H-PYRROL-2-CARBXYLIC ACID AMIDES Grünenthal GmbH (DE) 2005-12-01 WO claimed
EP-1751101-B1 Substituted 5-aminomethyl-1H-pyrrole-2-carboxylic acid amides GRUENENTHAL GMBH (DE) 2012-11-14 EP disclosed
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
EP-1751101-A1 SUBSTITUTED 5-AMINOMETHYL-1H-PYRROL-2-CARBXYLIC ACID AMIDES Grünenthal GmbH (DE) 2007-02-14 EP disclosed
WO-2005113497-A1 SUBSTITUTED 5-AMINOMETHYL-1H-PYRROL-2-CARBXYLIC ACID AMIDES Grünenthal GmbH (DE) 2005-12-01 WO 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 336/4885HPGD 1449/4885ALDH1A1 1027/4885

“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.