SCHEMBL3003279

SCHEMBL3003279

CCCC=CCC1(C)COc2cc(C(=O)NC3CCCCC3)ccc21

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.66
RAB9A P51151 10/20 0.48
NPC1 O15118 8/20 0.48
SMN1; SMN2 Q16637 7/20 0.48
HPGD P15428 3/20 0.48
TP53 P04637 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ALDH1A1 P00352 5/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3003276 1.00 CNR2 (0.66) CNR2RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL3015071 0.83 CNR2 (0.44) CNR2ALDH1A1
SCHEMBL3015066 0.83 CNR2 (0.44) CNR2ALDH1A1
SCHEMBL3018084 0.81 RARB (0.42) CNR2RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL3020411 0.79 CNR2 (0.64) CNR2SMN1; SMN2HPGDALDH1A1TSHR
SCHEMBL3020413 0.79 CNR2 (0.64) CNR2SMN1; SMN2HPGDALDH1A1TSHR
SCHEMBL3014661 0.79 CNR2 (1.00) CNR2RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL3014781 0.75 CNR2 (0.73) CNR2RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL3007576 0.71 CNR2 (1.00) CNR2RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL13988490 0.70 NPC1 (0.57) RAB9ANPC1SMN1; SMN2HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394267-B2 Heterocyclic modulators of cannabinoid receptors THE CLEVELAND CLINIC FOUNDATION (US) 2016-07-19 US disclosed
US-9339486-B2 Heterocyclic modulators of cannabinoid receptors THE CLEVELAND CLINIC FOUNDATION (US) 2016-05-17 US disclosed
US-20150148408-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-05-28 US disclosed
EP-2178371-B1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS UNIV TEXAS (US) 2014-01-01 EP disclosed
US-20130237536-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS THE CLEVELAND CLINIC FOUNDATION (US) 2013-09-12 US disclosed
US-8440832-B2 Heterocyclic modulators of cannabinoid receptors BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-14 US disclosed
US-20100204220-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-08-12 US disclosed
EP-2178371-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS Board of Regents, The University of Texas System (US) 2010-04-28 EP disclosed
WO-2009012221-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-01-22 WO 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 (3 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-20100204220-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS CNR1, CNR2, GPR18 CNR2 2/4885RAB9A 1119/4885NPC1 1424/4885
US-20130237536-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS CNR1, CNR2, GPR18 CNR2 2/4885RAB9A 1119/4885NPC1 1424/4885
US-20150148408-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS CNR1, CNR2, GPR18 CNR2 2/4885RAB9A 1119/4885NPC1 1424/4885

“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.