SCHEMBL16420447

SCHEMBL16420447

CN1CCC(NC(=O)OC(C)(C)C)(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
DPP4 P27487 1/20 0.47
POLB P06746 1/20 0.46
OPRM1 P35372 2/20 0.45
SLC22A1 O15245 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNH2 Q12809 1/20 0.45
ALDH1A1 P00352 2/20 0.44
AKT1 P31749 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DRD2 P14416 4/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL2554955 0.89 AKT1 (0.47) CNR1CNR2POLBALDH1A1AKT1
SCHEMBL16418423 0.88 GRIN2D (0.50) CNR1CNR2POLBOPRM1KCNH2
SCHEMBL28480157 0.87 CNR1 (0.46) CNR1CNR2POLBALDH1A1AKT1
SCHEMBL89721 0.86 SSTR4 (0.50) CNR1CNR2POLBALDH1A1AKT1
SCHEMBL17040898 0.86 SSTR4 (0.47) CNR1CNR2POLBALDH1A1AKT1
SCHEMBL7312456 0.85 CNR1 (0.45) CNR1CNR2POLBOPRM1KCNH2
SCHEMBL7315847 0.84 NPFFR1 (0.56) CNR1CNR2DPP4POLBALDH1A1
SCHEMBL3892253 0.83 OPRM1 (0.45) CNR1CNR2POLBOPRM1ALDH1A1
Hydrochloric Acid SCHEMBL27552695 0.82 OPRM1 (0.44) CNR1CNR2POLBOPRM1ALDH1A1
SCHEMBL1412064 0.82 CNR1 (0.44) CNR1CNR2POLBKCNH2ALDH1A1

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 2/4885DPP4 126/4885
US-20160046630-A1 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES CNR1, CNR2, P2RY1 CNR1 1/4885CNR2 2/4885DPP4 126/4885

“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.