SCHEMBL962469

SCHEMBL962469

COCCn1c(-c2ccc(F)cc2F)csc1=NC(=O)C12CC3CC(CC1C3)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
NPSR1 Q6W5P4 2/20 0.37
ACKR3 P25106 1/20 0.37
KCNQ3 O43525 2/20 0.36
KCNQ2 O43526 2/20 0.36
CNR2 P34972 1/20 0.36
HSD11B1 P28845 3/20 0.34
CHRM3 P20309 3/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
MAPK1 P28482 2/20 0.32
HTT P42858 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.31
THRB P10828 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
SCHEMBL965831 1.00 CA12 (0.39) CA12CA1CA2CA9NPSR1
SCHEMBL1614053 0.82 CNR2 (0.39) NPSR1ACKR3KCNQ3KCNQ2CNR2
SCHEMBL1614055 0.82 CNR2 (0.39) NPSR1ACKR3KCNQ3KCNQ2CNR2
SCHEMBL962659 0.81 NPSR1 (0.58) NPSR1KCNQ3KCNQ2CNR2L3MBTL1
SCHEMBL962657 0.81 NPSR1 (0.58) NPSR1KCNQ3KCNQ2CNR2L3MBTL1
SCHEMBL961457 0.79 NPSR1 (0.49) NPSR1KCNQ3KCNQ2CNR2L3MBTL1
SCHEMBL961459 0.79 NPSR1 (0.49) NPSR1KCNQ3KCNQ2CNR2L3MBTL1
SCHEMBL961233 0.78 HSD11B1 (0.35) CNR2HSD11B1SMN1; SMN2
SCHEMBL961234 0.78 HSD11B1 (0.35) CNR2HSD11B1SMN1; SMN2
SCHEMBL962240 0.75 KCNQ3 (0.46) NPSR1KCNQ3KCNQ2CNR2L3MBTL1

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 CA12 2511/4885CA1 2233/4885CA2 1787/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CA12 2511/4885CA1 2233/4885CA2 1787/4885
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 CA12 3856/4885CA1 634/4885CA2 1198/4885

“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.