SCHEMBL2435577

SCHEMBL2435577

O=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)Cc1ccccc1-2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 12/20 0.60
CYP1A2 P05177 2/20 0.55
ADRA2A P08913 1/20 0.55
MAOA P21397 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR2C P28335 1/20 0.55
SLC6A4 P31645 1/20 0.55
HTR2B P41595 1/20 0.55
SLC1A3 P43003 1/20 0.55
SLC1A2 P43004 1/20 0.55
SLC1A1 P43005 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
CYP3A4 P08684 1/20 0.51

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
SCHEMBL6693073 0.83 CYP1A2 (0.60) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL2433648 0.75 CASR (1.00) CASR
SCHEMBL14470418 0.75 CYP1A2 (0.57) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL21950457 0.75 CYP1A2 (0.51) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL2431141 0.75 CASR (1.00) CASRLMNA
SCHEMBL21950454 0.74 CYP1A2 (0.56) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL2430546 0.74 CASR (0.76) CASRCYP1A2CYP2C9CYP3A4LMNA
SCHEMBL2433839 0.74 CASR (1.00) CASRCYP1A2NPC1RAB9ACYP2C9
SCHEMBL2428795 0.74 CASR (0.76) CASRMAOA
SCHEMBL2430084 0.74 CASR (1.00) CASRCYP1A2NPC1RAB9ACYP2C9

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 5 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-2041103-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Galapagos SAS (FR) 2009-04-01 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
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 CASR 2/4885CYP1A2 3385/4885ADRA2A 1735/4885

“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.