SCHEMBL20249176

SCHEMBL20249176

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
GRM5 P41594 1/20 0.31
AKR1C3 P42330 1/20 0.30
RBP4 P02753 1/20 0.30

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
SCHEMBL20249362 0.81 TRPV1 (0.46) TRPV1HSD17B10GPR119AKR1C3
SCHEMBL20037593 0.69 PIM1 (0.35) GRM5
SCHEMBL20249445 0.68 BPTF (0.56) DPP4TRPV1HSD17B10GPR119
SCHEMBL20249512 0.68 PANK3 (0.46) TRPV1SMN1; SMN2HSD17B10GPR119
SCHEMBL31267772 0.68 NR1H2 (0.41) LMNAGPR119
SCHEMBL31267751 0.68 NR1H2 (0.41) LMNAGPR119
SCHEMBL18819906 0.66 CDK6 (0.40)
SCHEMBL20249439 0.65 TRPV1 (0.49) TRPV1LMNASMN1; SMN2GPR119
SCHEMBL20249435 0.65 TRPV1 (0.49) TRPV1HRH3SMN1; SMN2HSD17B10GPR119
SCHEMBL20249398 0.64 GFER (0.49) DPP4TRPV1SMN1; SMN2

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
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 DPP4 396/4885TRPV1 3672/4885HRH3 2304/4885

“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.