SCHEMBL965031

SCHEMBL965031

COCCn1c2c(s/c1=N\C(=O)C13CC4CC(CC(C4)C1)C3)CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.44
CNR1 P21554 4/20 0.44
HSD11B1 P28845 2/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ADORA2B P29275 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
RECQL P46063 1/20 0.32
CASP7 P55210 1/20 0.32
ESR2 Q92731 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL965032 1.00 CNR2 (0.44) CNR2CNR1HSD11B1KMT2AMEN1
SCHEMBL962164 0.90 NPC1 (0.44) CNR2CNR1HSD11B1KMT2AMEN1
SCHEMBL962163 0.90 NPC1 (0.44) CNR2CNR1HSD11B1KMT2AMEN1
SCHEMBL963974 0.88 SMN1; SMN2 (0.44) CNR2CNR1HSD11B1KMT2AMEN1
SCHEMBL963975 0.88 SMN1; SMN2 (0.44) CNR2CNR1HSD11B1KMT2AMEN1
SCHEMBL963573 0.87 CNR2 (0.38) CNR2CNR1HSD11B1KMT2AMEN1
SCHEMBL963576 0.87 CNR2 (0.38) CNR2CNR1HSD11B1KMT2AMEN1
SCHEMBL961872 0.86 CNR2 (0.43) CNR2CNR1HSD11B1KMT2AMEN1
SCHEMBL963991 0.86 CNR2 (0.43) CNR2CNR1HSD11B1KMT2AMEN1
SCHEMBL961886 0.80 CNR2 (0.61) CNR2CNR1HSD11B1KMT2AMEN1

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 1/4885HSD11B1 1629/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885HSD11B1 1629/4885
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 10/4885HSD11B1 2983/4885

“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.