SCHEMBL132498

SCHEMBL132498

c1ccc(C(CCNCCN2CCOCC2)c2ccccn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
KDM1A O60341 2/20 0.44
ACHE P22303 1/20 0.44
CHRM2 P08172 2/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
CASR P41180 1/20 0.44
HPGDS O60760 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
ALOX15 P16050 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
SCHEMBL11617108 0.87 ALDH1A1 (0.77) ALDH1A1ACHECHRM2CHRM4CHRM5
SCHEMBL128071 0.86 ACHE (0.57) ALDH1A1KDM1AACHEKDM4ELMNA
Hydrochloric Acid SCHEMBL126742 0.85 ACHE (0.56) ALDH1A1KDM1AACHEKDM4ELMNA
SCHEMBL130129 0.84 ACHE (0.50) ALDH1A1KDM1AACHECASRKDM4E
SCHEMBL126320 0.81 CASR (0.54) ALDH1A1ACHECASRLMNASMN1; SMN2
SCHEMBL170262 0.77 LMNA (0.46) ALDH1A1KDM1AACHECHRM1KDM4E
SCHEMBL126714 0.76 ALDH1A1 (0.55) ALDH1A1KDM1AACHECASRKDM4E
SCHEMBL126448 0.75 CYP1A2 (0.46) ALDH1A1KDM1AACHECASRKDM4E
SCHEMBL11617414 0.74 ALDH1A1 (0.97) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL5013030 0.73 ALDH1A1 (0.71) ALDH1A1KDM1ACHRM2HPGDSKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SASU (FR) 2012-11-08 US disclosed
US-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SASU (FR) 2012-11-08 US disclosed
US-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SASU (FR) 2012-11-08 US disclosed
US-8247412-B2 Urea derivatives methods for their manufacture and uses thereof GALAPAGOS SASU (FR) 2012-08-21 US disclosed
US-8247412-B2 Urea derivatives methods for their manufacture and uses thereof GALAPAGOS SASU (FR) 2012-08-21 US disclosed
US-8247412-B2 Urea derivatives methods for their manufacture and uses thereof GALAPAGOS SASU (FR) 2012-08-21 US disclosed
EP-1874765-B1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE AND USES THEREOF GALAPAGOS SAS (FR) 2012-03-07 EP disclosed
EP-2354137-A1 Urea derivatives, methods for their manufacture, and uses thereof Galapagos SAS (FR) 2011-08-10 EP disclosed
EP-2354137-A1 Urea derivatives, methods for their manufacture, and uses thereof Galapagos SAS (FR) 2011-08-10 EP disclosed
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 US disclosed
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 US disclosed
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 US disclosed
EP-1874765-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF Proskelia SAS (FR) 2008-01-09 EP disclosed
WO-2006117211-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF PROSKELIA SAS (FR) 2006-11-09 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 (2 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-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR UTS2R, UGP2, SLC14A1 ALDH1A1 375/4885KDM1A 1269/4885ACHE 1498/4885
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof UGP2, UTS2R, UMPS ALDH1A1 564/4885KDM1A 1139/4885ACHE 877/4885

“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.