SCHEMBL944838

SCHEMBL944838

N#Cc1ccc(OC2CCC2)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.39
HRH3 Q9Y5N1 5/20 0.39
SLC6A9 P48067 2/20 0.39
SLC6A4 P31645 1/20 0.38
UTS2R Q9UKP6 2/20 0.38
TRPC6 Q9Y210 1/20 0.38
CNR2 P34972 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
ALK Q9UM73 1/20 0.37
POLB P06746 1/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36

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
SCHEMBL28807605 0.95 HRH3 (0.43) CYP11B2HRH3SLC6A9SLC6A4UTS2R
SCHEMBL24371190 0.93 CYP11B2 (0.41) CYP11B2HRH3SLC6A4UTS2RPTGDR2
SCHEMBL31750322 0.93 CYP11B2 (0.41) CYP11B2HRH3SLC6A4UTS2RPTGDR2
SCHEMBL22717508 0.83 SLC6A4 (0.38) CYP11B2SLC6A4UTS2RALK
SCHEMBL23686797 0.81 SLC6A9 (0.47) SLC6A9
SCHEMBL943645 0.79 CNR2 (0.48) SLC6A9CNR2PTGDR2
SCHEMBL18855637 0.77 SLC6A9 (0.47) CYP11B2HRH3SLC6A9
SCHEMBL3743105 0.77 CSNK2A1 (0.55) CYP11B2HRH3TRPC6
SCHEMBL22702789 0.77 CNR2 (0.44) HRH3SLC6A9TRPC6CNR2
SCHEMBL1423702 0.77 PTPN1 (0.36) CYP11B2HRH3TRPC6PTGDR2

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 12 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
EP-2376462-A1 Thiazoles as cannabinoid receptor ligands Abbott Laboratories (US) 2011-10-19 EP 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
WO-2010071783-A1 THIAZOLES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-06-24 WO disclosed
EP-2142522-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-01-13 EP disclosed
WO-2008121558-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-09 WO 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 CYP11B2 1229/4885HRH3 101/4885SLC6A9 4235/4885
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CYP11B2 842/4885HRH3 49/4885SLC6A9 1623/4885
US-20100216760-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, OPRL1 CYP11B2 1582/4885HRH3 42/4885SLC6A9 3420/4885

“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.