SCHEMBL2435519

SCHEMBL2435519

Cc1ccc(C(CCNC(=O)Nc2cccc(C(=O)O)c2)c2ccc(C)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASR P41180 12/20 0.81
SLC6A3 Q01959 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 1/20 0.50
HIF1A Q16665 1/20 0.49
EPAS1 Q99814 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL2431701 0.90 CASR (1.00) CASRNPC1RAB9AALDH1A1
SCHEMBL2431910 0.90 CASR (0.85) CASRSLC6A3NPC1RAB9ACNR1
SCHEMBL2429151 0.87 CASR (0.76) CASRSLC6A3NPC1RAB9ACNR1
SCHEMBL2462520 0.83 CASR (0.84) CASRMAPTLMNAALOX12HTT
SCHEMBL2430642 0.81 CASR (1.00) CASRNPC1RAB9AMAPTALDH1A1
SCHEMBL2430084 0.80 CASR (1.00) CASRSLC6A3NPC1RAB9ACNR1
SCHEMBL2434317 0.80 CASR (0.81) CASRNPC1RAB9AMAPTALDH1A1
SCHEMBL2437588 0.79 CASR (0.74) CASRRAB9AMAPTHTTALDH1A1
SCHEMBL2432077 0.79 CASR (0.83) CASRSLC6A3NPC1RAB9ACNR1
SCHEMBL14310626 0.79 CASR (0.74) CASRMAPTLMNAALOX12HTT

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 2/4885SLC6A3 1739/4885NPC1 2414/4885

“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.