SCHEMBL2437635

SCHEMBL2437635

CN(CCNCCC(c1ccccc1)c1ccccc1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
KCNH2 Q12809 3/20 0.46
HTR2A P28223 3/20 0.44
HRH1 P35367 3/20 0.44
KDM4E B2RXH2 1/20 0.43
SOS1 Q07889 1/20 0.41
ACHE P22303 2/20 0.41
CYP3A4 P08684 2/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
SMPD1 P17405 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL11435175 0.81 KCNH2 (0.50) KCNH2KDM4E
SCHEMBL1779062 0.80 KCNH2 (0.41) KMT2AMEN1KCNH2HTR2AHRH1
SCHEMBL127478 0.78 HTR2A (0.66) KMT2AMEN1KCNH2HTR2AHRH1
SCHEMBL11426703 0.78 KCNH2 (0.53) KCNH2OPRM1
SCHEMBL4038987 0.77 MTNR1A (0.52) KMT2AMEN1CASRLMNAALDH1A1
SCHEMBL17346364 0.76 ALDH1A1 (0.49) KMT2AMEN1KDM4EACHEDRD3
SCHEMBL17345886 0.76 HPGD (0.40) KMT2AMEN1KDM4EACHELMNA
SCHEMBL3642467 0.74 KCNH2 (0.53) KCNH2HTR2AHRH1SOS1CYP3A4
SCHEMBL17346362 0.74 ALDH1A1 (0.50) KMT2AKDM4EACHEDRD3LMNA
SCHEMBL17345896 0.74 HPGD (0.39) KMT2AMEN1KDM4EACHELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2366698-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor Galapagos SAS (FR) 2011-09-21 EP disclosed
EP-2366698-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor Galapagos SAS (FR) 2011-09-21 EP disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US disclosed
WO-2008006625-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SAS (FR) 2008-01-17 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-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 KMT2A 4672/4885MEN1 2770/4885KCNH2 1594/4885

“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.