SCHEMBL20249268

SCHEMBL20249268

CN1CCN(c2ccc(C(C)(C)C)nn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.51
KDM4E B2RXH2 2/20 0.44
HTR3E A5X5Y0 4/20 0.44
HTR3B O95264 4/20 0.44
HTR3A P46098 4/20 0.44
HTR3D Q70Z44 4/20 0.44
HTR3C Q8WXA8 4/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
THPO P40225 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL20249261 0.94 HRH4 (0.47) HRH4KDM4ECYP1A2
SCHEMBL20249305 0.84 TRPV1 (0.39) HRH4KDM4ECYP1A2
SCHEMBL20249325 0.81 HRH3 (0.48) HRH4KDM4EALDH1A1HRH3
SCHEMBL20249151 0.81 GAA (0.47) KDM4EALDH1A1
SCHEMBL20249130 0.81 ALDH1A1 (0.51) KDM4EALDH1A1
SCHEMBL20249099 0.81 BPTF (0.57) HRH4KDM4EHTR3EHTR3BHTR3A
SCHEMBL20249301 0.80 TRPV1 (0.36) HRH4KDM4EALDH1A1CYP1A2HRH3
SCHEMBL20249352 0.80 TRPV1 (0.39) HRH4KDM4ECYP1A2HRH3
SCHEMBL20249445 0.79 BPTF (0.56) KDM4EALDH1A1
SCHEMBL16134879 0.79 CYP1A2 (0.57) HRH4KDM4EHTR3EHTR3BHTR3A

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 HRH4 1763/4885KDM4E 470/4885HTR3E 2380/4885

“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.