SCHEMBL4257841

SCHEMBL4257841

Cc1nc(NC2CCC(C(=O)O)CC2)cc(N(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.40
MCHR1 Q99705 13/20 0.40
ADRA2A P08913 3/20 0.40
HRH1 P35367 3/20 0.40
ADRA1A P35348 2/20 0.40
HTR2B P41595 2/20 0.40
CNR1 P21554 1/20 0.39
KCNH2 Q12809 1/20 0.39
AURKB Q96GD4 1/20 0.39
SYK P43405 1/20 0.38
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4257838 1.00 VCP (0.40) VCPMCHR1ADRA2AHRH1ADRA1A
SCHEMBL4257453 0.88 PDGFRB (0.47) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL4257454 0.88 PDGFRB (0.47) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL4258666 0.88 MCHR1 (0.46) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL4258661 0.88 MCHR1 (0.46) MCHR1ADRA2AHRH1ADRA1AHTR2B
Trifluoroacetic Acid SCHEMBL4262978 0.84 PDGFRB (0.44) MCHR1ADRA2AHRH1ADRA1AHTR2B
Trifluoroacetic Acid SCHEMBL4262987 0.81 MCHR1 (0.41) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL4262384 0.81 CDK2 (0.38) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL4263812 0.81 CDK2 (0.38) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL4262982 0.80 MCHR1 (0.47) MCHR1ADRA2AHRH1ADRA1AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
EP-1730122-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-12-13 EP disclosed
WO-2005095357-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 VCP 1398/4885MCHR1 3/4885ADRA2A 178/4885

“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.