SCHEMBL20255397

SCHEMBL20255397

CC1(CO)CCN(c2ccc(C(C)(C)CCC(C)(C)c3ccc(N4CC5CC(C4)C5O)nn3)nn2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.33
CHRNA7 P36544 4/20 0.32
KIF18A Q8NI77 2/20 0.32
CHRM4 P08173 2/20 0.31
HTR3A P46098 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31

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
SCHEMBL20249370 0.78 SCD (0.36) CXCR3CHRM4
SCHEMBL20249382 0.75 CHRNA7 (0.38) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL20038163 0.68 OGA (0.39) HTR3A
SCHEMBL18291571 0.67 CHRNA7 (0.41) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL20255108 0.67 SMPD3 (0.37)
SCHEMBL20249355 0.65 SOS1 (0.33)
SCHEMBL20249290 0.65 PTPN11 (0.43)
SCHEMBL20255570 0.63 CHRNA7 (0.37) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL20255107 0.62 GAA (0.39)
SCHEMBL20249350 0.62 KMT2A (0.38) 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 CXCR3 1880/4885CHRNA7 4757/4885KIF18A 864/4885

“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.