SCHEMBL962348

SCHEMBL962348

COCCn1cc(-c2ccc(F)cc2F)sc1=NC(=O)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.41
CNR2 P34972 7/20 0.36
CNR1 P21554 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 1/20 0.33
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
AXL P30530 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR3A P46098 1/20 0.33

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
SCHEMBL962347 1.00 ACKR3 (0.41) ACKR3CNR2CNR1NPSR1HDAC1
SCHEMBL5127027 0.86 ACKR3 (0.47) ACKR3CNR2CNR1NPSR1CHRM3
SCHEMBL5127024 0.86 ACKR3 (0.47) ACKR3CNR2CNR1NPSR1CHRM3
SCHEMBL3388341 0.84 ACKR3 (0.46) ACKR3CNR2CNR1NPSR1CHRM3
SCHEMBL3388336 0.84 ACKR3 (0.46) ACKR3CNR2CNR1NPSR1CHRM3
SCHEMBL964329 0.84 CNR2 (0.48) ACKR3CNR2CNR1KCNQ3KCNQ2
SCHEMBL964327 0.84 CNR2 (0.48) ACKR3CNR2CNR1KCNQ3KCNQ2
SCHEMBL965271 0.82 NPSR1 (0.45) ACKR3CNR2CNR1NPSR1HDAC1
SCHEMBL965273 0.82 NPSR1 (0.45) ACKR3CNR2CNR1NPSR1HDAC1
SCHEMBL967645 0.81 KCNQ3 (0.42) ACKR3CNR2CNR1NPSR1KCNQ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024349-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Abbott Laboratories (US) 2009-02-18 EP claimed
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
WO-2007140439-A2 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-12-06 WO 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 ACKR3 380/4885CNR2 2/4885CNR1 1/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 ACKR3 380/4885CNR2 2/4885CNR1 1/4885
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 ACKR3 619/4885CNR2 5/4885CNR1 10/4885

“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.