SCHEMBL4090782

SCHEMBL4090782

CCOc1ccccc1N1CCN(C(=O)c2c(NC(=O)C3C(C)(C)C3(C)C)sc(C)c2C)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TSHR P16473 2/20 0.52
NPC1 O15118 1/20 0.49
MAPT P10636 5/20 0.48
NPSR1 Q6W5P4 2/20 0.48
USP2 O75604 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.46
HCRTR1 O43613 1/20 0.45

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
SCHEMBL4091354 0.76 ALDH1A1 (0.47) KMT2AMEN1SMN1; SMN2TSHRMAPT
SCHEMBL4085841 0.76 ALDH1A1 (0.44) KMT2AMEN1SMN1; SMN2TSHRMAPT
SCHEMBL3756475 0.74 ALDH1A1 (0.40) KMT2AMEN1SMN1; SMN2TSHRMAPT
SCHEMBL4084783 0.73 MAPT (0.47) SMN1; SMN2TSHRMAPTNPSR1HSD17B10
SCHEMBL5909187 0.69 SMN1; SMN2 (0.71) KMT2AMEN1SMN1; SMN2TSHRNPC1
SCHEMBL4094455 0.68 ABCC1 (0.41) KMT2AMEN1SMN1; SMN2TSHRMAPT
SCHEMBL10728158 0.67 LMNA (0.62) KMT2AMEN1MAPTNPSR1USP2
SCHEMBL17707555 0.66 KMT2A (0.60) KMT2AMEN1SMN1; SMN2TSHRNPC1
SCHEMBL4086554 0.66 CYP1A2 (0.50) KMT2AMEN1SMN1; SMN2NPC1MAPT
SCHEMBL4090413 0.66 NPC1 (0.55) KMT2AMEN1SMN1; SMN2NPC1MAPT

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 KMT2A 2505/4885MEN1 3065/4885SMN1; SMN2 3100/4885

“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.