Sugi Predict

Sugi Predict / Compounds / SCHEMBL3386260

SCHEMBL3386260

SCHEMBL3386260

COCCn1c(C)c(N2CCOCC2)s/c1=N\C(=O)C1C(C)(C)C1(C)C

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.66
▸ CNR1 P21554 4/20 0.66
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.32
▸ HPGD P15428 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3386266 1.00 CNR2 (0.66) CNR2CNR1KMT2AMEN1ALDH1A1
SCHEMBL945043 0.80 CNR2 (1.00) CNR2CNR1KMT2AMEN1ALDH1A1
SCHEMBL945045 0.80 CNR2 (1.00) CNR2CNR1KMT2AMEN1ALDH1A1
SCHEMBL26376123 0.80 CNR2 (1.00) CNR2CNR1KMT2AMEN1ALDH1A1
SCHEMBL3382611 0.78 CNR2 (0.78) CNR2CNR1KMT2AMEN1ALDH1A1
SCHEMBL3382608 0.78 CNR2 (0.78) CNR2CNR1KMT2AMEN1ALDH1A1
SCHEMBL3387038 0.71 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1CYP1A2TSHR
SCHEMBL3384763 0.71 CNR2 (0.63) CNR2CNR1KMT2AMEN1ALDH1A1
SCHEMBL3387714 0.71 CNR2 (0.63) CNR2CNR1KMT2AMEN1ALDH1A1
SCHEMBL3384765 0.71 CNR2 (0.63) CNR2CNR1KMT2AMEN1ALDH1A1

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 1/4885KMT2A 1378/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885KMT2A 1609/4885

“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.