SCHEMBL4262293

SCHEMBL4262293

NC1CCC(NCc2ccc(Br)cc2OC(F)(F)F)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.55
ADRA2A P08913 7/20 0.55
NPY5R Q15761 4/20 0.43
EPHX2 P34913 2/20 0.41
LMNA P02545 1/20 0.37
GBA1 P04062 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CNR1 P21554 1/20 0.37
TBXA2R P21731 1/20 0.37
HRH2 P25021 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
TACR1 P25103 1/20 0.35

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
SCHEMBL4262295 1.00 MCHR1 (0.55) MCHR1ADRA2ANPY5REPHX2LMNA
SCHEMBL23124560 0.94 MCHR1 (0.59) MCHR1ADRA2ANPY5REPHX2LMNA
SCHEMBL14606862 0.88 MCHR1 (0.57) MCHR1ADRA2ANPY5REPHX2TACR1
SCHEMBL27611215 0.87 MCHR1 (0.54) MCHR1ADRA2ANPY5REPHX2TACR1
SCHEMBL4258087 0.79 ADRA2A (0.50) MCHR1ADRA2ANPY5REPHX2HTT
SCHEMBL4258082 0.79 ADRA2A (0.50) MCHR1ADRA2ANPY5REPHX2HTT
SCHEMBL5527117 0.79 MCHR1 (0.52) MCHR1ADRA2ANPY5REPHX2
SCHEMBL4266637 0.76 MCHR1 (0.60) MCHR1ADRA2ANPY5REPHX2CYP1A2
SCHEMBL4266633 0.76 MCHR1 (0.60) MCHR1ADRA2ANPY5REPHX2CYP1A2
SCHEMBL23124616 0.76 KDM4E (0.57) MCHR1ADRA2ATSHRTDP1TACR1

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 3/4885ADRA2A 178/4885NPY5R 14/4885

“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.