SCHEMBL20038040

SCHEMBL20038040

Ic1ccc(OCC2CNC2)cn1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 1/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL18291304 0.80 CHRNB2 (0.54) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL18291072 0.80 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL20038304 0.80 PARP10 (0.49)
SCHEMBL20038048 0.77 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL20249296 0.76 CHRNB2 (0.41) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL18291281 0.76 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL20038266 0.75 CHRNA3 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8152065 0.75 ALDH1A1 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL20038208 0.73 MKNK1 (0.36) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL20038029 0.73 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP 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 SLC6A2 2659/4885SLC6A4 1825/4885SLC6A3 1635/4885

“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.