SCHEMBL4080130

SCHEMBL4080130

CC1(C)C(C(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)C1(C)C

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.68
MGAM O43451 3/20 0.62
AMY1A P0DUB6 2/20 0.62
MAPT P10636 2/20 0.59
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
POLB P06746 1/20 0.54
PTK2B Q14289 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 1/20 0.53
TP53 P04637 1/20 0.53
THRB P10828 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL3801324 0.85 RORC (0.68) RORCMGAMAMY1AMAPTKDM4E
Bicarbonate SCHEMBL7890907 0.84 RORC (0.67) RORCMGAMAMY1AMAPTKDM4E
SCHEMBL7890904 0.84 RORC (0.67) RORCMGAMAMY1AMAPTKDM4E
SCHEMBL8206909 0.84 RORC (0.63) RORCMGAMAMY1AMAPTKDM4E
SCHEMBL4085782 0.83 CYP1A2 (0.71) MAPTKDM4EALDH1A1KMT2ATP53
SCHEMBL6248317 0.82 RORC (0.73) RORCMGAMAMY1AMAPTKDM4E
SCHEMBL21577853 0.82 RORC (0.63) RORCMGAMAMY1AMAPTKDM4E
SCHEMBL4090251 0.81 CNR2 (0.62) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL4084167 0.81 CNR2 (0.74) ALDH1A1KMT2ATP53
SCHEMBL3802984 0.81 RORC (0.68) RORCMGAMAMY1AMAPTKDM4E

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 RORC 436/4885MGAM 4834/4885AMY1A 3374/4885

“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.