SCHEMBL2428795

SCHEMBL2428795

O=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(Br)cc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 14/20 0.76
CNR1 P21554 2/20 0.63
CNR2 P34972 1/20 0.62
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
FPR2 P25090 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
S1PR3 Q99500 1/20 0.55
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54

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
SCHEMBL2433648 0.87 CASR (1.00) CASRCNR1CNR2MTNR1AMTNR1B
SCHEMBL2430546 0.85 CASR (0.76) CASRCNR1CNR2MEN1KMT2A
SCHEMBL2430084 0.85 CASR (1.00) CASRCNR1CNR2MEN1KMT2A
SCHEMBL2433839 0.85 CASR (1.00) CASRCNR1CNR2MEN1KMT2A
SCHEMBL2433310 0.83 CASR (0.78) CASRMTNR1AMTNR1B
SCHEMBL2434172 0.82 CASR (1.00) CASRCNR1CNR2FPR2MEN1
SCHEMBL2431422 0.81 CASR (0.69) CASRCNR1CNR2MEN1KMT2A
SCHEMBL11050914 0.81 CNR1 (0.66) CNR1MAOAMAOBFPR2MEN1
SCHEMBL4897395 0.79 CNR1 (0.74) CNR1MAOAMAOBFPR2KMT2A
SCHEMBL2432001 0.78 CASR (1.00) CASRMEN1KMT2A

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 4 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
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

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 2/4885CNR1 94/4885CNR2 179/4885

“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.