SCHEMBL20249362

SCHEMBL20249362

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.46
PANK3 Q9H999 13/20 0.44
GPR119 Q8TDV5 1/20 0.43
AKR1C3 P42330 1/20 0.42
BPTF Q12830 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 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
SCHEMBL20249512 0.85 PANK3 (0.46) TRPV1PANK3GPR119KDM4EALDH1A1
SCHEMBL20249445 0.84 BPTF (0.56) TRPV1PANK3GPR119BPTFKDM4E
SCHEMBL20249398 0.82 GFER (0.49) TRPV1KDM4EALDH1A1MAPT
SCHEMBL20038125 0.81 PANK3 (0.47) PANK3AKR1C3BPTFKDM4EALDH1A1
SCHEMBL20249176 0.81 DPP4 (0.34) TRPV1GPR119AKR1C3HSD17B10
SCHEMBL20249439 0.81 TRPV1 (0.49) TRPV1PANK3GPR119BPTFALDH1A1
SCHEMBL20249435 0.81 TRPV1 (0.49) TRPV1PANK3GPR119BPTFALDH1A1
SCHEMBL20249352 0.80 TRPV1 (0.39) TRPV1GPR119BPTFKDM4E
SCHEMBL20249404 0.79 NPC1 (0.54) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL20037720 0.78 PANK3 (0.46) PANK3AKR1C3KDM4EALDH1A1MAPT

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 TRPV1 3672/4885PANK3 492/4885GPR119 2218/4885

“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.