SCHEMBL3384765

SCHEMBL3384765

COCCn1c2c(sc1=NC(=O)C1C(C)(C)C1(C)C)CCC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.63
CNR1 P21554 4/20 0.63
ADORA2B P29275 3/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 3/20 0.34
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
CASP7 P55210 1/20 0.34
ESR2 Q92731 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 2/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL3384763 1.00 CNR2 (0.63) CNR2CNR1ADORA2BALDH1A1TSHR
SCHEMBL3387714 0.98 CNR2 (0.63) CNR2CNR1ADORA2BALDH1A1TSHR
SCHEMBL3387709 0.98 CNR2 (0.63) CNR2CNR1ADORA2BALDH1A1TSHR
SCHEMBL965031 0.79 CNR2 (0.44) CNR2CNR1ADORA2BALDH1A1TSHR
SCHEMBL965032 0.79 CNR2 (0.44) CNR2CNR1ADORA2BALDH1A1TSHR
SCHEMBL945045 0.77 CNR2 (1.00) CNR2CNR1ADORA2BALDH1A1KDM4E
SCHEMBL26376123 0.77 CNR2 (1.00) CNR2CNR1ADORA2BALDH1A1KDM4E
SCHEMBL945043 0.77 CNR2 (1.00) CNR2CNR1ADORA2BALDH1A1KDM4E
SCHEMBL3382608 0.75 CNR2 (0.78) CNR2CNR1ALDH1A1TSHRHSD17B10
SCHEMBL3382611 0.75 CNR2 (0.78) CNR2CNR1ALDH1A1TSHRHSD17B10

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
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
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC. 2008-03-06 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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885ADORA2B 53/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885ADORA2B 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.