SCHEMBL127478

SCHEMBL127478

CN(C)CCNCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.66
HRH1 P35367 6/20 0.66
KCNH2 Q12809 4/20 0.58
LMNA P02545 3/20 0.50
CHRM2 P08172 3/20 0.50
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 3/20 0.50
ADRA2A P08913 2/20 0.50
CHRM1 P11229 2/20 0.50
ADRA1A P35348 2/20 0.50
OPRM1 P35372 2/20 0.50
DRD3 P35462 2/20 0.50
HTR2B P41595 2/20 0.50
SLC6A3 Q01959 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
HTR1A P08908 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
SMPD1 P17405 1/20 0.50

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
SCHEMBL11796932 0.84 KCNH2 (0.76) HTR2AHRH1KCNH2LMNACHRM2
SCHEMBL126445 0.82 SIGMAR1 (0.64) HTR2AHRH1KCNH2LMNACHRM2
Hydrochloric Acid SCHEMBL11794831 0.82 KCNH2 (0.73) HTR2AHRH1KCNH2LMNACHRM2
SCHEMBL1802493 0.80 HRH1 (1.00) HTR2AHRH1KCNH2LMNACHRM2
SCHEMBL6705995 0.79 KCNH2 (0.63) HTR2AHRH1KCNH2LMNACHRM2
SCHEMBL3637324 0.79 KCNH2 (0.63) HTR2AHRH1KCNH2LMNACHRM2
SCHEMBL2437635 0.78 KMT2A (0.49) HTR2AHRH1KCNH2LMNACHRM2
Hydrochloric Acid SCHEMBL11383046 0.78 HRH1 (0.95) HTR2AHRH1KCNH2LMNACHRM2
SCHEMBL10045128 0.78 KCNH2 (0.75) HTR2AHRH1KCNH2LMNACHRM2
SCHEMBL11496098 0.77 UTS2R (0.42) HTR2AHRH1

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
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-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
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 HTR2A 3808/4885HRH1 207/4885KCNH2 2785/4885
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof UGP2, UTS2R, UMPS HTR2A 2789/4885HRH1 238/4885KCNH2 2068/4885

“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.