SCHEMBL4919640

SCHEMBL4919640

Cc1cnc(NC2CCC(NC(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)cc1N(C)C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.59
TAS1R1 Q7RTX1 2/20 0.59
TAS1R2 Q8TE23 2/20 0.59
MCHR1 Q99705 16/20 0.55
ADRA2A P08913 8/20 0.48
HRH1 P35367 8/20 0.48
HTR2B P41595 7/20 0.48
ADRA1A P35348 6/20 0.48
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
HTR1A P08908 1/20 0.43
NPY5R Q15761 1/20 0.43
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL4919631 1.00 TAS1R3 (0.59) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
Hydrochloric Acid SCHEMBL4924183 0.99 TAS1R3 (0.58) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
Hydrochloric Acid SCHEMBL4924191 0.99 TAS1R3 (0.58) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
SCHEMBL4920150 0.89 MCHR1 (0.68) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
SCHEMBL4920156 0.89 MCHR1 (0.68) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
Hydrochloric Acid SCHEMBL4928333 0.89 MCHR1 (0.67) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
Hydrochloric Acid SCHEMBL4928320 0.89 MCHR1 (0.67) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
SCHEMBL4927609 0.87 MCHR1 (0.57) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
SCHEMBL4927601 0.87 MCHR1 (0.57) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
Hydrochloric Acid SCHEMBL4923565 0.86 MCHR1 (0.56) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A

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-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 US claimed
US-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 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-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor MCHR1, GPR119, MCHR2 TAS1R3 1130/4885TAS1R1 671/4885TAS1R2 923/4885

“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.