SCHEMBL2432652

SCHEMBL2432652

COc1ccc(CNC(=O)NCCC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 1.00
CNR1 P21554 2/20 0.64
CNR2 P34972 2/20 0.64
NPC1 O15118 3/20 0.61
RAB9A P51151 2/20 0.61
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
MTNR1A P48039 3/20 0.56
MTNR1B P49286 3/20 0.56
MITF O75030 1/20 0.52
LMNA P02545 1/20 0.52
GPR35 Q9HC97 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
XBP1 P17861 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL16562080 0.84 NPC1 (0.77) CASRNPC1RAB9AMEN1KMT2A
SCHEMBL2428037 0.84 CASR (0.73) CASRCNR1CNR2NPC1RAB9A
SCHEMBL2434172 0.83 CASR (1.00) CASRCNR1CNR2NPC1RAB9A
SCHEMBL16562237 0.82 EPHX1 (0.74) CASRNPC1RAB9AMEN1KMT2A
SCHEMBL24576223 0.81 NPC1 (0.71) CASRNPC1RAB9AMEN1KMT2A
SCHEMBL16562082 0.80 EPHX2 (0.76) CASRNPC1RAB9AMEN1KMT2A
SCHEMBL17117215 0.80 EPHX2 (0.76) CASRNPC1RAB9AMEN1KMT2A
SCHEMBL3456855 0.80 MEN1 (0.78) CASRCNR1CNR2NPC1RAB9A
SCHEMBL2428039 0.78 CASR (0.63) CASRCNR1CNR2NPC1RAB9A
SCHEMBL13366908 0.77 CASR (0.63) CASRNPC1RAB9AMEN1KMT2A

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.