Sugi Predict

Sugi Predict / Compounds / SCHEMBL3384346

SCHEMBL3384346

SCHEMBL3384346

CCCCn1c(C)c(C(C)=O)s/c1=N\C(=O)c1cc(Cl)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.47
▸ CNR1 P21554 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ KDM4E B2RXH2 6/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 4/20 0.42
▸ PPARG P37231 2/20 0.42
▸ NCOA2 Q15596 2/20 0.42
▸ NCOA1 Q15788 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ NCOA3 Q9Y6Q9 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42

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
SCHEMBL3384351 1.00 CNR2 (0.47) CNR2CNR1ITGB3ITGA2BKDM4E
SCHEMBL3386909 0.89 PIM1 (0.51) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL3386904 0.89 PIM1 (0.51) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL945004 0.89 PIM1 (0.50) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL945005 0.89 PIM1 (0.50) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL947062 0.86 CNR2 (0.56) CNR2CNR1NPC1
SCHEMBL947059 0.86 CNR2 (0.56) CNR2CNR1NPC1
SCHEMBL3387737 0.85 CNR2 (0.50) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL3387738 0.85 CNR2 (0.50) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL943413 0.82 CNR2 (0.57) CNR2CNR1TSHR

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 1/4885ITGB3 2454/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885ITGB3 2188/4885

“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.