SCHEMBL4262877

SCHEMBL4262877

N[C@H]1CC[C@@H](CNC(=O)c2ccc(F)c(F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.56
AR P10275 1/20 0.54
MCHR1 Q99705 2/20 0.53
ADRA2A P08913 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
HTR2B P41595 1/20 0.52
CYP2C9 P11712 2/20 0.49
HDAC6 Q9UBN7 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
MLYCD O95822 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
SCHEMBL3455181 1.00 MAPK14 (0.56) MAPK14ARMCHR1ADRA2AADRA1A
SCHEMBL3130723 0.86 HDAC6 (0.62) MAPK14ARMCHR1ADRA2AADRA1A
SCHEMBL29323446 0.84 HSD17B13 (0.48) MAPK14MCHR1ADRA2AADRA1AHRH1
SCHEMBL5632191 0.80 MAPK14 (0.55) MAPK14ARMCHR1CYP2C9HDAC6
SCHEMBL15054741 0.78 SMYD3 (0.61) MAPK14ARMCHR1ADRA2AADRA1A
SCHEMBL3456482 0.78 SMYD3 (0.62) MCHR1TAS1R3TAS1R1TAS1R2
SCHEMBL4259798 0.78 SMYD3 (0.62) MCHR1TAS1R3TAS1R1TAS1R2
SCHEMBL4257302 0.76 MAPK14 (0.57) MAPK14ARMCHR1ADRA2AADRA1A
SCHEMBL4257295 0.76 MAPK14 (0.57) MAPK14ARMCHR1ADRA2AADRA1A
SCHEMBL6636825 0.76 CACNA1H (0.50) MAPK14ARHDAC6HDAC3HDAC4

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 MAPK14 2344/4885AR 3770/4885MCHR1 3/4885

“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.