SCHEMBL943637

SCHEMBL943637

CCCCn1cc(C(C)(C)C)s/c1=N\C(=S)c1cc(Cl)ccc1OC

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.63
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CNR1 P21554 1/20 0.35

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
SCHEMBL943638 1.00 CNR2 (0.63) CNR2ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL944787 0.94 CNR2 (0.55) CNR2ALDH1A1LMNA
SCHEMBL944786 0.94 CNR2 (0.55) CNR2ALDH1A1LMNA
SCHEMBL944812 0.91 CNR2 (0.52) CNR2
SCHEMBL944809 0.91 CNR2 (0.52) CNR2
SCHEMBL943384 0.89 CNR2 (0.79) CNR2
SCHEMBL943386 0.89 CNR2 (0.79) CNR2
SCHEMBL944182 0.89 CNR2 (0.49) CNR2
SCHEMBL944183 0.89 CNR2 (0.49) CNR2
SCHEMBL947508 0.88 CNR2 (0.63) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3026046-A1 THIAZOLES AS CANNABINOID RECEPTOR LIGANDS AbbVie Inc. (US) 2016-06-01 EP disclosed
EP-2376462-B1 THIAZOLES AS CANNABINOID RECEPTOR LIGANDS ABBVIE INC (US) 2015-12-16 EP disclosed
US-8895592-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-11-25 US disclosed
US-8865753-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-21 US disclosed
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-7875640-B2 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
US-20100216760-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20080242654-A1 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2008-10-02 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 (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-20080242654-A1 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants CNR2, CNR1, TRPV1 CNR2 1/4885ALDH1A1 1513/4885MEN1 3535/4885
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CNR2 2/4885ALDH1A1 1147/4885MEN1 3076/4885
US-20100216760-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, OPRL1 CNR2 2/4885ALDH1A1 1131/4885MEN1 1715/4885

“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.