SCHEMBL1384786

SCHEMBL1384786

NC(=O)C1CCN(N2CCCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.41
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
MEN1 O00255 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HRH3 Q9Y5N1 2/20 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
Hydrochloric Acid SCHEMBL8411684 0.98 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1NPSR1GAAHPGD
SCHEMBL28372145 0.98 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1NPSR1GAAKMT2A
SCHEMBL5707155 0.82 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1GAAKMT2ACYP3A4
SCHEMBL17165159 0.81 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1GAAKMT2AKDM4E
SCHEMBL4593908 0.79 LMNA (0.46) ALDH1A1NPSR1HPGDL3MBTL1KDM4E
SCHEMBL6033251 0.77 HPGD (0.41) SMN1; SMN2ALDH1A1HPGDL3MBTL1
Cyclohexane SCHEMBL8108017 0.77 KDM4E (0.48) SMN1; SMN2ALDH1A1NPSR1GAAHPGD
Urea SCHEMBL5045628 0.77 L3MBTL1 (0.44) ALDH1A1GAAHPGDTDP1L3MBTL1
SCHEMBL5803382 0.77 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL13383600 0.76 LMNA (0.47) NPSR1HPGDL3MBTL1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4812759-B2 2011-11-09 JP claimed
EP-1773823-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-04-18 EP claimed
WO-2006021654-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-03-02 WO claimed
EP-1395582-A1 NOVEL PIPERIDINECARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2004-03-10 EP claimed
WO-2002094821-A1 NOVEL PIPERIDINECARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-11-28 WO claimed
EP-1012166-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-28 EP claimed
WO-1999011657-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 WO claimed
US-8877745-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-16 US disclosed
EP-1395582-A1 NOVEL PIPERIDINECARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2004-03-10 EP disclosed
WO-2002094821-A1 NOVEL PIPERIDINECARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-11-28 WO disclosed
EP-1012166-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-28 EP disclosed
WO-1999011657-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 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-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS CCR2, CXCR2, CYSLTR2 SMN1; SMN2 4140/4885ALDH1A1 1133/4885NPSR1 292/4885

“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.