Sugi Predict

Sugi Predict / Compounds / SCHEMBL3387709

SCHEMBL3387709

SCHEMBL3387709

COCCn1c2c(s/c1=N\C(=O)C1C(C)(C)C1(C)C)CCCC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.63
▸ CNR1 P21554 5/20 0.63
▸ MAPK1 P28482 2/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ CYP1A1 P04798 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP1B1 Q16678 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ KDM4E B2RXH2 2/20 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
SCHEMBL3387714 1.00 CNR2 (0.63) CNR2CNR1MAPK1ADORA2BHTT
SCHEMBL3384765 0.98 CNR2 (0.63) CNR2CNR1MAPK1ADORA2BHTT
SCHEMBL3384763 0.98 CNR2 (0.63) CNR2CNR1MAPK1ADORA2BHTT
SCHEMBL945043 0.77 CNR2 (1.00) CNR2CNR1ADORA2BRXFP1ALDH1A1
SCHEMBL945045 0.77 CNR2 (1.00) CNR2CNR1ADORA2BRXFP1ALDH1A1
SCHEMBL26376123 0.77 CNR2 (1.00) CNR2CNR1ADORA2BRXFP1ALDH1A1
SCHEMBL965032 0.77 CNR2 (0.44) CNR2CNR1MAPK1ADORA2BHTT
SCHEMBL965031 0.77 CNR2 (0.44) CNR2CNR1MAPK1ADORA2BHTT
SCHEMBL963573 0.77 CNR2 (0.38) CNR2CNR1MAPK1ADORA2BHTT
SCHEMBL963576 0.77 CNR2 (0.38) CNR2CNR1MAPK1ADORA2BHTT

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 1/4885MAPK1 1779/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885MAPK1 1506/4885

“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.