SCHEMBL4090075

SCHEMBL4090075

COC(=O)c1ccsc1NC(=O)C12CC3CC(CC1C3)C2

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.76
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 3/20 0.48
MAPK10 P53779 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX12 P18054 1/20 0.45
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CNR1 P21554 1/20 0.44
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3646676 0.86 CNR2 (0.55) CNR2MAPK10CNR1
SCHEMBL3802009 0.86 CNR2 (0.55) CNR2MAPK10CNR1
SCHEMBL4095673 0.80 CNR2 (0.76) CNR2KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4091024 0.78 CNR2 (0.55) CNR2KMT2AMEN1MAPK10CNR1
SCHEMBL11578842 0.71 KMT2A (0.69) CNR2KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL3706613 0.71 MAPK10 (0.68) CNR2KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL4084849 0.70 CNR2 (0.51) CNR2KMT2AMEN1MAPK10ALDH1A1
SCHEMBL3797476 0.70 CNR2 (0.51) CNR2KMT2AMEN1MAPK10ALDH1A1
SCHEMBL4066836 0.70 KMT2A (0.67) CNR2KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL4086454 0.69 CNR2 (0.58) CNR2SMN1; SMN2KDM4EALDH1A1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338623-B2 N-{3-[(2,5-dimethylmorpholin-4-yl)carbonyl]-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl}hexahydro-2,5-methanopentalene-3a(1H)-carboxamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBVIE INC. (US) 2012-12-25 US disclosed
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 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 (1 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-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CNR2 2/4885KMT2A 2505/4885MEN1 3065/4885

“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.