SCHEMBL4080119

SCHEMBL4080119

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
ATM Q13315 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CNR2 P34972 8/20 0.58
CNR1 P21554 3/20 0.56
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL4080819 0.99 KMT2A (0.60) KMT2AMEN1ATML3MBTL1CNR2
SCHEMBL4094326 0.92 CNR2 (0.63) KMT2AMEN1ATML3MBTL1CNR2
SCHEMBL4090251 0.91 CNR2 (0.62) KMT2AMEN1ATML3MBTL1CNR2
SCHEMBL4079868 0.89 CNR2 (0.66) KMT2AMEN1ATML3MBTL1CNR2
SCHEMBL4089814 0.87 CNR2 (0.67) KMT2AMEN1ATML3MBTL1CNR2
SCHEMBL4084167 0.87 CNR2 (0.74) KMT2AMEN1ATML3MBTL1CNR2
SCHEMBL4091312 0.85 CNR2 (0.77) KMT2AMEN1CNR2CNR1CYP1A2
SCHEMBL4095565 0.84 CNR2 (0.74) KMT2ACNR2CNR1CYP1A2CYP2C9
SCHEMBL4085782 0.84 CYP1A2 (0.71) KMT2AMEN1CNR2CNR1CYP1A2
SCHEMBL4090539 0.84 CNR2 (0.59) KMT2AMEN1ATML3MBTL1CNR2

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 3065/4885ATM 3672/4885

“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.