SCHEMBL20249282

SCHEMBL20249282

CC1(C)CNCCN(c2ccc(C(C)(C)C)nc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRL1 P41146 2/20 0.33
ELANE P08246 1/20 0.32
OPRM1 P35372 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
NR3C1 P04150 1/20 0.30
AR P10275 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30

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
SCHEMBL20249234 0.83 OPRL1 (0.34) RAB9ASMN1; SMN2OPRL1ELANENR3C1
SCHEMBL20038025 0.83 ELANE (0.46) RAB9ASMN1; SMN2OPRL1ELANEOPRM1
SCHEMBL20249456 0.81 OPRL1 (0.36) OPRL1ELANEOPRM1CHRNB2CHRNA4
SCHEMBL20249254 0.78 HTR6 (0.40) SMN1; SMN2CHRNB2CHRNA4
SCHEMBL20249470 0.78 LIPE (0.40) CDK4
SCHEMBL20249255 0.77 CYP1A2 (0.41) SMN1; SMN2OPRL1CDK2CDK4CCND1
SCHEMBL20249361 0.75 SIGMAR1 (0.33) RAB9ASMN1; SMN2OPRL1CHRNB2CHRNA4
SCHEMBL20249323 0.75 CDK4 (0.42) RAB9AOPRL1OPRM1CDK4
SCHEMBL12145921 0.72 CHRNB2 (0.58) CHRNB2CHRNA4CDK4CCND1
SCHEMBL25026927 0.72 CRBN (0.53) OPRL1

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 RAB9A 2154/4885SMN1; SMN2 1690/4885OPRL1 4655/4885

“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.