SCHEMBL4266597

SCHEMBL4266597

Cc1nc(NC2CCC(NC(=O)NC(C)c3cccc4ccccc34)CC2)cc(N(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
SSTR4 P31391 1/20 0.40
PDE2A O00408 1/20 0.40
MCHR1 Q99705 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
EPHX2 P34913 2/20 0.39
TRPV1 Q8NER1 2/20 0.39

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
SCHEMBL4266591 1.00 METAP2 (0.41) METAP2METAP1SSTR4PDE2AMCHR1
SCHEMBL6462062 0.84 MCHR1 (0.42) METAP2METAP1SSTR4MCHR1EPHX2
SCHEMBL6457316 0.84 MCHR1 (0.42) METAP2METAP1SSTR4MCHR1EPHX2
SCHEMBL6464298 0.81 METAP2 (0.42) METAP2METAP1SSTR4MCHR1OPRM1
SCHEMBL6464312 0.81 METAP2 (0.42) METAP2METAP1SSTR4MCHR1OPRM1
SCHEMBL4036490 0.77 MCHR1 (0.61) METAP2METAP1MCHR1EPHX2
SCHEMBL4359947 0.77 MCHR1 (0.61) METAP2METAP1MCHR1EPHX2
SCHEMBL4258666 0.75 MCHR1 (0.46) MCHR1
SCHEMBL4258661 0.75 MCHR1 (0.46) MCHR1
SCHEMBL6460996 0.74 MCHR1 (0.45) METAP2METAP1MCHR1OPRM1OPRD1

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 2 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 claimed
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 METAP2 1852/4885METAP1 1804/4885SSTR4 142/4885

“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.