SCHEMBL3386346

SCHEMBL3386346

COCCn1c(C)c(C)sc1=N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
ADORA2B P29275 3/20 0.38
ALDH1A1 P00352 2/20 0.36
PIM1 P11309 1/20 0.36
CLK2 P49760 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
RGS4 P49798 1/20 0.35
RGS8 P57771 1/20 0.35
GAA P10253 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
XIAP P98170 1/20 0.32
PLEC Q15149 1/20 0.32

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
Bromide SCHEMBL944336 0.98 CNR1 (0.43) CNR1CNR2ADORA2BALDH1A1PIM1
Bromide SCHEMBL961430 0.88 CNR1 (0.37) CNR1CNR2ADORA2BALDH1A1PIM1
SCHEMBL961257 0.79 CNR2 (0.44) CNR1CNR2ADORA2BALDH1A1RGS4
SCHEMBL27763425 0.78 ADORA2B (0.34) CNR1CNR2ADORA2BALDH1A1RGS4
Bromide SCHEMBL963084 0.76 CNR1 (0.33) CNR1CNR2ADORA2BALDH1A1RGS4
SCHEMBL3380931 0.75 LMNA (0.51) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL942848 0.74 RGS4 (0.36) ALDH1A1RGS4RGS8MEN1KMT2A
Bromide SCHEMBL961463 0.74 ALDH1A1 (0.34) ALDH1A1GAA
SCHEMBL3418220 0.74 HPGD (0.49) ADORA2BALDH1A1GAAMEN1KMT2A
Bromide SCHEMBL3382090 0.74 LMNA (0.50) ALDH1A1MEN1KMT2AHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024349-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2017-08-02 EP disclosed
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 US disclosed
US-8546583-B2 Pain, inflammatory or immune disorders, neurological disorders, cancers of the immune system, respiratory disorders, cardiovascular disorders, neuroprotection; e.g. 5-chloro-N-[(2Z)-5-(1-hydroxy-1-methylethyl)-3-[((cis)-3-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazol-2(3H)-ylidene]-2-methoxybenzamide ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 EP disclosed
EP-2222165-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-01 EP disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2009067613-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-05-28 WO disclosed
EP-2038266-A2 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Abbott Laboratories (US) 2009-03-25 EP disclosed
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 US disclosed
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC. 2008-03-06 US disclosed
WO-2007140385-A2 THIAZOLE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-12-06 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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR1 1/4885CNR2 2/4885ADORA2B 53/4885
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection OPRL1, OPRK1, OPRD1 CNR1 10/4885CNR2 5/4885ADORA2B 37/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR1 1/4885CNR2 2/4885ADORA2B 62/4885

“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.