SCHEMBL2433446

SCHEMBL2433446

CC(C)(C)OC(=O)N1CCN(C(=O)CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)Nc2nc(-c3ccccc3)cs2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.58
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
S1PR2 O95136 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NR2F2 P24468 1/20 0.46
HTT P42858 1/20 0.46
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
USP30 Q70CQ3 1/20 0.43
P2RY12 Q9H244 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
ACKR3 P25106 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL2437797 0.89 CASR (0.63) CASRMAPTNPC1RAB9AKDM4E
SCHEMBL4206755 0.89 CASR (0.65) CASRMAPTNPC1RAB9AROCK2
SCHEMBL2464057 0.86 CASR (0.64) CASRMAPTNPC1RAB9AROCK2
SCHEMBL2492735 0.85 CASR (0.58) CASR
SCHEMBL4039413 0.83 CASR (0.60) CASRMAPTRAB9AALDH1A1ROCK2
SCHEMBL4209495 0.83 CASR (0.60) CASRMAPTRAB9AALDH1A1ROCK2
SCHEMBL2494297 0.83 CASR (0.60) CASRMAPTRAB9AALDH1A1ROCK2
SCHEMBL2434872 0.81 CASR (0.67) CASRMAPTROCK2ROCK1HDAC3
SCHEMBL3676007 0.80 CASR (0.65) CASRROCK2ROCK1USP30
SCHEMBL2430080 0.79 CASR (0.58) CASRMAPTRAB9AALDH1A1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041103-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Galapagos SAS (FR) 2009-04-01 EP claimed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US claimed
WO-2008006625-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SAS (FR) 2008-01-17 WO claimed
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 2/4885MAPT 1435/4885NPC1 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.