SCHEMBL961220

SCHEMBL961220

COCCn1cc(-c2cccnc2)sc1=NC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
CYP17A1 P05093 7/20 0.39
CYP19A1 P11511 7/20 0.39
HSD11B1 P28845 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHBP P24387 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CRHR2 Q13324 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CALCRL Q16602 1/20 0.36
P2RX7 Q99572 1/20 0.36
GRM1 Q13255 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
SCHEMBL961219 1.00 CNR2 (0.43) CNR2CNR1CYP17A1CYP19A1HSD11B1
SCHEMBL1614426 0.91 CNR2 (0.41) CNR2CNR1HSD11B1MEN1KMT2A
SCHEMBL1614424 0.91 CNR2 (0.41) CNR2CNR1HSD11B1MEN1KMT2A
SCHEMBL963128 0.90 CNR2 (0.43) CNR2CNR1CYP17A1CYP19A1HSD11B1
SCHEMBL963129 0.90 CNR2 (0.43) CNR2CNR1CYP17A1CYP19A1HSD11B1
SCHEMBL962669 0.90 CNR2 (0.48) CNR2CNR1HSD11B1
SCHEMBL962670 0.90 CNR2 (0.48) CNR2CNR1HSD11B1
SCHEMBL966807 0.86 CNR2 (0.40) CNR2CNR1CYP17A1CYP19A1HSD11B1
SCHEMBL966810 0.86 CNR2 (0.40) CNR2CNR1CYP17A1CYP19A1HSD11B1
SCHEMBL962269 0.85 CNR2 (0.43) CNR2CNR1HSD11B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 US claimed
EP-2024349-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2017-08-02 EP disclosed
US-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2015-08-20 US disclosed
US-9006275-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2015-04-14 US disclosed
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-7875639-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 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-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885CYP17A1 1167/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885CYP17A1 1167/4885
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection OPRL1, OPRK1, OPRD1 CNR2 5/4885CNR1 10/4885CYP17A1 3639/4885

“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.