SCHEMBL20249371

SCHEMBL20249371

CC(C)(C)c1ccc(N2CCN(CCC(=O)O)CC2)nn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.41
TRPV1 Q8NER1 1/20 0.40
DRD2 P14416 4/20 0.38
DRD3 P35462 4/20 0.38
HTR7 P34969 2/20 0.38
GPR119 Q8TDV5 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL20249151 0.83 GAA (0.47) TRPV1DRD2DRD3HRH1GAA
SCHEMBL18291566 0.82 HTR1A (0.44) HTR1ADRD2DRD3HTR7ITGB3
SCHEMBL20249489 0.81 KHK (0.45) TRPV1
SCHEMBL20249352 0.80 TRPV1 (0.39) TRPV1GPR119GAAPPARGPPARA
SCHEMBL18937879 0.80 HRH3 (0.44) HTR1ADRD2DRD3HTR7HTR2A
SCHEMBL20249389 0.80 ALDH1A1 (0.42) TRPV1GPR119GAAALDH1A1
SCHEMBL20255450 0.80 HTR1A (0.44) HTR1AHTR7ITGB3ITGA2BHTR2A
SCHEMBL20249420 0.78 TRPV1 (0.39) TRPV1GPR119ALDH1A1
SCHEMBL20255338 0.78 ALDH1A1 (0.42) TRPV1DRD2GAAALDH1A1
SCHEMBL20249351 0.78 TRPV1 (0.38) TRPV1GPR119GAA

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 HTR1A 3202/4885TRPV1 3672/4885DRD2 1592/4885

“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.