SCHEMBL3017930

SCHEMBL3017930

CC1(Cc2ccccc2)COc2ccc(C(=O)Nc3ccccc3I)cc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.66
PTGS2 P35354 2/20 0.44
RAB9A P51151 11/20 0.43
NPC1 O15118 10/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
POLB P06746 2/20 0.43
CYP26A1 O43174 1/20 0.43
CYP26B1 Q9NR63 1/20 0.43
PKM P14618 3/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
PTGS1 P23219 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL13211727 0.92 CNR2 (0.66) CNR2PTGS2RAB9ANPC1SMN1; SMN2
SCHEMBL3019867 0.83 CNR2 (0.71) CNR2PTGS2RAB9ANPC1SMN1; SMN2
SCHEMBL3019041 0.81 CNR2 (0.66) CNR2PTGS2RAB9ANPC1KMT2A
SCHEMBL16744528 0.81 CNR2 (0.66) CNR2PTGS2RAB9ANPC1SMN1; SMN2
SCHEMBL3007576 0.79 CNR2 (1.00) CNR2PTGS2RAB9ANPC1SMN1; SMN2
SCHEMBL13211746 0.75 CNR2 (0.84) CNR2RAB9ANPC1SMN1; SMN2PKM
SCHEMBL3020924 0.73 CNR2 (0.71) CNR2RAB9ANPC1SMN1; SMN2CYP26A1
SCHEMBL13211747 0.73 CNR2 (0.67) CNR2RAB9ANPC1PKMALDH1A1
SCHEMBL3024232 0.72 CNR2 (0.66) CNR2PTGS2POLBALDH1A1PTGS1
SCHEMBL3021003 0.72 CNR2 (0.66) CNR2RAB9ANPC1KMT2AMEN1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019136331-A1 ORAL CANNABINOID RECEPTOR MODULATOR FORMULATIONS THE CLEVELAND CLINIC FOUNDATION (US) 2019-07-11 WO disclosed
US-20190210999-A1 ORAL CANNABINOID RECEPTOR MODULATOR FORMULATIONS THE CLEVELAND CLINIC FOUNDATION 2019-07-11 US disclosed
US-9394267-B2 Heterocyclic modulators of cannabinoid receptors THE CLEVELAND CLINIC FOUNDATION (US) 2016-07-19 US disclosed
US-9394267-B2 Heterocyclic modulators of cannabinoid receptors THE CLEVELAND CLINIC FOUNDATION (US) 2016-07-19 US disclosed
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-9339486-B2 Heterocyclic modulators of cannabinoid receptors THE CLEVELAND CLINIC FOUNDATION (US) 2016-05-17 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
US-20150148408-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-05-28 US 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-8440832-B2 Heterocyclic modulators of cannabinoid receptors BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-14 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
US-20100204220-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-08-12 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
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 (4 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 2/4885PTGS2 697/4885RAB9A 1119/4885
US-20130237536-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS CNR1, CNR2, GPR18 CNR2 2/4885PTGS2 697/4885RAB9A 1119/4885
US-20190210999-A1 ORAL CANNABINOID RECEPTOR MODULATOR FORMULATIONS CNR1, CNR2, OPRL1 CNR2 2/4885PTGS2 482/4885RAB9A 1865/4885
US-20150148408-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS CNR1, CNR2, GPR18 CNR2 2/4885PTGS2 697/4885RAB9A 1119/4885

“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.