SCHEMBL4267020

SCHEMBL4267020

Cc1nc(NC2CCC(CN(C(=O)C(F)(F)F)c3ccc(OC(F)(F)F)cc3)CC2)cc(N(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.48
GALR2 O43603 1/20 0.35
GALR1 P47211 1/20 0.35
LTC4S Q16873 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
MELK Q14680 1/20 0.34
ADRA2A P08913 2/20 0.34
SYK P43405 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
PIM1 P11309 1/20 0.33
NPY5R Q15761 1/20 0.33
PDE2A O00408 1/20 0.33
EPHX2 P34913 1/20 0.33
IL1B P01584 1/20 0.33
FASN P49327 1/20 0.33
CACNA1G O43497 1/20 0.33

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
SCHEMBL4255598 0.84 MCHR1 (0.45) MCHR1ADRA2AADRA1AHRH1
SCHEMBL4262300 0.81 MCHR1 (0.58) MCHR1ADRA2AADRA1AHRH1NPY5R
SCHEMBL4262303 0.81 MCHR1 (0.58) MCHR1ADRA2AADRA1AHRH1NPY5R
Trifluoroacetic Acid SCHEMBL4267018 0.80 MCHR1 (0.55) MCHR1ADRA2AADRA1AHRH1NPY5R
Trifluoroacetic Acid SCHEMBL4267015 0.80 MCHR1 (0.55) MCHR1ADRA2AADRA1AHRH1NPY5R
SCHEMBL4259743 0.79 MCHR1 (0.73) MCHR1ADRA2AADRA1AHRH1EPHX2
SCHEMBL4259739 0.79 MCHR1 (0.73) MCHR1ADRA2AADRA1AHRH1EPHX2
SCHEMBL6464232 0.79 MCHR1 (0.51) MCHR1ADRA2ASYKADRA1AHRH1
Hydrochloric Acid SCHEMBL4263476 0.79 MCHR1 (0.72) MCHR1ADRA2AADRA1AHRH1EPHX2
Hydrochloric Acid SCHEMBL4263483 0.79 MCHR1 (0.72) MCHR1ADRA2AADRA1AHRH1EPHX2

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 1 patent. 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

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 MCHR1 3/4885GALR2 485/4885GALR1 622/4885

“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.