SCHEMBL4091334

SCHEMBL4091334

CCC(C)NC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
HPGD P15428 5/20 0.46
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ABCC1 P33527 1/20 0.40
RPS6KB1 P23443 1/20 0.39
CDK2 P24941 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
GSK3B P49841 1/20 0.39
RPS6KA3 P51812 1/20 0.39
CNR2 P34972 1/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 1/20 0.39
PLA2G1B P04054 1/20 0.39

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
SCHEMBL4090409 0.89 ALDH1A1 (0.44) ALDH1A1HPGDPOLBCYP1A2CYP2C9
SCHEMBL4080979 0.87 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2POLBCYP1A2
SCHEMBL4080533 0.87 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2POLBCYP1A2
SCHEMBL4091302 0.85 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2POLBCYP1A2
SCHEMBL4080989 0.82 CNR2 (0.46) ALDH1A1HPGDPOLBCYP1A2CYP2C9
SCHEMBL4080147 0.81 HPGD (0.52) ALDH1A1HPGDSMN1; SMN2POLBCYP1A2
SCHEMBL4090818 0.81 ALDH1A1 (0.43) ALDH1A1HPGDPOLBCYP1A2CYP2C9
SCHEMBL4080663 0.81 TAS1R3 (0.43) ALDH1A1HPGDSMN1; SMN2POLBCYP1A2
SCHEMBL3745498 0.80 ABCC1 (0.51) ALDH1A1HPGDPOLBABCC1RPS6KB1
SCHEMBL4084751 0.80 CNR2 (0.58) ALDH1A1HPGDPOLBCYP1A2ABCC1

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 ALDH1A1 1504/4885HPGD 1873/4885PKM 3509/4885

“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.