SCHEMBL4038987

SCHEMBL4038987

CN(CC(=O)NCCC(c1ccccc1)c1ccccc1)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
CNR1 P21554 4/20 0.52
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49
EPHX2 P34913 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
CNR2 P34972 3/20 0.48
POLB P06746 2/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CASR P41180 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL19444721 0.80 RAB9A (0.61) NPSR1LMNAMAPTALDH1A1HTT
SCHEMBL2437635 0.77 KMT2A (0.49) NPSR1LMNAALDH1A1HTTKMT2A
SCHEMBL19444772 0.76 ALDH1A1 (0.64) NPSR1LMNAMAPTALDH1A1HTT
SCHEMBL4038983 0.75 BCHE (0.57) MTNR1AMTNR1BCNR1EPHX2KMT2A
SCHEMBL1709277 0.74 MTNR1A (0.72) MTNR1AMTNR1BCNR1EPHX2CNR2
SCHEMBL6129435 0.72 CNR1 (0.57) MTNR1AMTNR1BCNR1EPHX2CNR2
SCHEMBL7296450 0.72 EPHX2 (0.54) NPSR1LMNAMAPTALDH1A1HTT
SCHEMBL12329866 0.72 KMT2A (0.44) ALDH1A1KMT2AMEN1ATMCASR
SCHEMBL2427167 0.72 CNR1 (0.70) MTNR1AMTNR1BCNR1EPHX2CNR2
SCHEMBL14530812 0.71 EPHX2 (0.63) MTNR1AMTNR1BCNR1LMNAALDH1A1

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 7 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
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
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 MTNR1A 1639/4885MTNR1B 1037/4885CNR1 94/4885

“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.