SCHEMBL20249233

SCHEMBL20249233

CC(C)(C)c1ccc(OCC2(N)CC2)cn1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL20249251 0.94 CYP4F2 (0.32) CYP4F2CYP4A11CHRNB2CHRNA4
SCHEMBL20249228 0.79 LRRK2 (0.33)
SCHEMBL20038050 0.79 CHRNB2 (0.42) CHRNB2CHRNA4
SCHEMBL20037578 0.77 MPO (0.39) CYP4F2CYP4A11CHRNB2CHRNA4
SCHEMBL18291575 0.76 HRH3 (0.33)
SCHEMBL20038049 0.76 CHRNB2 (0.31) CYP4F2CYP4A11CHRNB2CHRNA4
SCHEMBL20249292 0.75 CLK2 (0.35) CYP4F2CYP4A11CHRNB2CHRNA4
SCHEMBL12710188 0.74 NQO1 (0.50)
SCHEMBL20249230 0.73 POLB (0.33) CHRNB2CHRNA4
SCHEMBL20085933 0.73 EGLN2 (0.39) CHRNB2CHRNA4

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 CYP4F2 805/4885CYP4A11 371/4885CHRNB2 4863/4885

“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.