SCHEMBL4091044

SCHEMBL4091044

Cc1sc(NC(=O)C2C(C)(C)C2(C)C)c(C(=O)NCCc2cccs2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 3/20 0.49
TSHR P16473 2/20 0.49
MAPK10 P53779 2/20 0.49
ALOX15 P16050 1/20 0.49
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 5/20 0.47
MAPT P10636 4/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 2/20 0.47
TAAR1 Q96RJ0 2/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
TP53 P04637 1/20 0.44
KIF11 P52732 1/20 0.43
CNR2 P34972 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL4092618 0.80 CYP1A2 (0.51) ALDH1A1KDM4ETSHRRAB9ANPC1
SCHEMBL4084751 0.80 CNR2 (0.58) ALDH1A1KDM4EHPGDMAPTMAPK1
SCHEMBL4092577 0.78 CNR2 (0.51) ALDH1A1KDM4ETSHRRAB9AMAPT
SCHEMBL4085526 0.78 CNR2 (0.47) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL4090499 0.78 CNR2 (0.46) ALDH1A1KDM4EHPGDMAPTMAPK1
SCHEMBL4080989 0.77 CNR2 (0.46) ALDH1A1KDM4EHPGDMAPTMAPK1
SCHEMBL4080504 0.77 CNR2 (0.50) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL4091207 0.77 CNR2 (0.45) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL4086661 0.77 CNR2 (0.45) ALDH1A1KDM4EHPGDMAPTMAPK1
SCHEMBL4085496 0.77 CNR2 (0.45) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2

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 1504/4885KDM4E 2443/4885TSHR 463/4885

“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.