SCHEMBL964840

SCHEMBL964840

COCCn1ccsc1=NC(=O)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 5/20 0.37
NPC1 O15118 3/20 0.37
JAK2 O60674 3/20 0.37
RAB9A P51151 3/20 0.37
PAX8 Q06710 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL964839 1.00 HSD11B1 (0.38) HSD11B1CYP3A4ALDH1A1NPC1JAK2
SCHEMBL961081 0.84 HSD11B1 (0.43) HSD11B1CYP3A4ALDH1A1NPC1JAK2
SCHEMBL961083 0.84 HSD11B1 (0.43) HSD11B1CYP3A4ALDH1A1NPC1JAK2
SCHEMBL965105 0.81 HSD11B1 (0.39) HSD11B1CYP3A4ALDH1A1NPC1JAK2
SCHEMBL965104 0.81 HSD11B1 (0.39) HSD11B1CYP3A4ALDH1A1NPC1JAK2
SCHEMBL962548 0.78 CNR2 (0.43) HSD11B1ALDH1A1NPC1RAB9ALMNA
SCHEMBL962546 0.78 CNR2 (0.43) HSD11B1ALDH1A1NPC1RAB9ALMNA
SCHEMBL963482 0.76 GAA (0.37) HSD11B1ALDH1A1NPC1JAK2RAB9A
SCHEMBL963481 0.76 GAA (0.37) HSD11B1ALDH1A1NPC1JAK2RAB9A
SCHEMBL962785 0.75 CNR2 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2HTT

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 6 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
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 HSD11B1 1629/4885CYP3A4 451/4885ALDH1A1 1171/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 HSD11B1 1629/4885CYP3A4 451/4885ALDH1A1 1171/4885
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 HSD11B1 2983/4885CYP3A4 1219/4885ALDH1A1 81/4885

“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.