SCHEMBL4263607

SCHEMBL4263607

Cc1nc(N[C@H]2CC[C@@H](NC(=O)c3cccc(OC(F)(F)F)c3)CC2)cc(N(C)C)n1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.60
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
CNR1 P21554 1/20 0.48
KCNH2 Q12809 1/20 0.48
AURKB Q96GD4 1/20 0.48
ADRA2A P08913 7/20 0.47
HRH1 P35367 4/20 0.47
ADRA1A P35348 3/20 0.47
HTR2B P41595 3/20 0.45
NPC1 O15118 1/20 0.44
HPGDS O60760 1/20 0.44
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
EPHX2 P34913 1/20 0.42

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
SCHEMBL4263612 1.00 MCHR1 (0.60) MCHR1TAS1R3TAS1R1TAS1R2CNR1
Hydrochloric Acid SCHEMBL4269138 0.99 MCHR1 (0.59) MCHR1TAS1R3TAS1R1TAS1R2CNR1
Hydrochloric Acid SCHEMBL4269142 0.99 MCHR1 (0.59) MCHR1TAS1R3TAS1R1TAS1R2CNR1
SCHEMBL4262590 0.90 MCHR1 (0.59) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL4262596 0.90 MCHR1 (0.59) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL4259743 0.90 MCHR1 (0.73) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL4259739 0.90 MCHR1 (0.73) MCHR1CNR1KCNH2AURKBADRA2A
Hydrochloric Acid SCHEMBL4263476 0.89 MCHR1 (0.72) MCHR1CNR1KCNH2AURKBADRA2A
Hydrochloric Acid SCHEMBL4263483 0.89 MCHR1 (0.72) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL4255504 0.89 MCHR1 (0.51) MCHR1TAS1R3TAS1R1TAS1R2ADRA2A

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 MCHR1 3/4885TAS1R3 1598/4885TAS1R1 963/4885

“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.