SCHEMBL20038082

SCHEMBL20038082

Ic1ccc(N2C3CCC2CNC3)cn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
ROCK2 O75116 5/20 0.36
ROCK1 Q13464 2/20 0.36
USP25 Q9UHP3 2/20 0.35
USP28 Q96RU2 1/20 0.35
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA7 P36544 1/20 0.33

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
SCHEMBL20037601 0.80 CHRNB2 (0.49) OPRM1ROCK2ROCK1USP25USP28
SCHEMBL20255521 0.79 PTPN11 (0.40) CHRNB2CHRNA4
SCHEMBL23215232 0.76 HTR2A (0.42) OPRM1ROCK2CHRNB2CHRNA4CHRNB4
SCHEMBL18291649 0.76 OPRM1 (0.41) OPRM1ROCK2ROCK1USP25USP28
SCHEMBL20249258 0.76 OPRM1 (0.41) OPRM1ROCK2ROCK1USP25USP28
SCHEMBL6187462 0.74 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6190806 0.73 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5375833 0.72 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5370493 0.72 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5375883 0.72 CHRNB2 (0.45) OPRM1ROCK2CHRNB2CHRNA4CHRNB4

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 OPRM1 4815/4885ROCK2 3168/4885ROCK1 2915/4885

“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.