SCHEMBL20249382

SCHEMBL20249382

CC(C)(C)c1ccc(N2CC3CC(C2)C3O)nn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.38
HTR3A P46098 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
KMT2A Q03164 1/20 0.35
RET P07949 1/20 0.33
GRIN2B Q13224 1/20 0.32
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
SCHEMBL20249350 0.84 KMT2A (0.38) CHRNA7HTR3ACHRNB4CHRNA3KMT2A
SCHEMBL18291571 0.81 CHRNA7 (0.41) CHRNA7HTR3ACHRNB4CHRNA3KMT2A
SCHEMBL19001109 0.80 KMT2A (0.41) CHRNA7HTR3ACHRNB4CHRNA3KMT2A
SCHEMBL19001244 0.80 KMT2A (0.41) CHRNA7HTR3ACHRNB4CHRNA3KMT2A
SCHEMBL20249344 0.77 KMT2A (0.36) CHRNA7HTR3ACHRNB4CHRNA3KMT2A
SCHEMBL20255570 0.76 CHRNA7 (0.37) CHRNA7HTR3ACHRNB4CHRNA3KMT2A
SCHEMBL20249356 0.76 TRPV1 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL20249359 0.76 TRPV1 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL20249165 0.76 TRPV1 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL20255397 0.75 CXCR3 (0.33) CHRNA7HTR3ACHRNB4CHRNA3

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 CHRNA7 4757/4885HTR3A 2802/4885CHRNB4 4823/4885

“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.