SCHEMBL16420404

SCHEMBL16420404

CCCCNC(=O)NC1(c2ccccc2)CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.49
CNR2 P34972 3/20 0.49
POLB P06746 1/20 0.49
DPP4 P27487 1/20 0.47
ADRA1A P35348 2/20 0.46
OPRM1 P35372 2/20 0.45
SLC22A1 O15245 1/20 0.45
SLC6A4 P31645 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNH2 Q12809 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
HTT P42858 3/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
NAMPT P43490 2/20 0.43
P2RX7 Q99572 1/20 0.43

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
SCHEMBL16420402 0.92 POLB (0.51) CNR1CNR2POLBDPP4ADRA1A
SCHEMBL16420913 0.87 POLB (0.53) CNR1CNR2POLBDPP4ADRA1A
SCHEMBL16418429 0.87 CNR1 (0.47) CNR1CNR2POLBADRA1AOPRM1
SCHEMBL15202851 0.80 OPRM1 (0.54) POLBDPP4ADRA1AOPRM1SLC22A1
SCHEMBL9064765 0.80 CHRM5 (0.64) ADRA1AOPRM1SLC22A1SLC6A4OPRD1
SCHEMBL16418428 0.79 POLB (0.48) CNR1CNR2POLBDPP4ADRA1A
SCHEMBL14000285 0.77 POLB (0.68) POLBDPP4ADRA1AOPRM1SLC22A1
SCHEMBL16420945 0.76 DPP4 (0.50) CNR1CNR2POLBDPP4ADRA1A
SCHEMBL16420923 0.76 DPP4 (0.47) CNR1CNR2POLBDPP4ADRA1A
SCHEMBL22528304 0.75 HTT (0.46) CNR1CNR2POLBOPRM1HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2814828-B9 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES RES TRIANGLE INST (US) 2020-10-07 EP disclosed
US-9458160-B2 Peripherally restricted diphenyl purine derivatives RESEARCH TRIANGLE INSTITUTE (US) 2016-10-04 US disclosed
US-20160046630-A1 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES RES TRIANGLE INST (US) 2016-02-18 US disclosed
US-9187480-B2 Peripherally restricted diphenyl purine derivatives RESEARCH TRIANGLE INSTITUTE (US) 2015-11-17 US disclosed
US-20150031689-A1 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-01-29 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 (2 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-20150031689-A1 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES CNR1, CNR2, P2RY1 CNR1 1/4885CNR2 2/4885POLB 860/4885
US-20160046630-A1 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES CNR1, CNR2, P2RY1 CNR1 1/4885CNR2 2/4885POLB 860/4885

“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.