SCHEMBL4086554

SCHEMBL4086554

Cc1sc(NC(=O)C2C(C)(C)C2(C)C)c(C(=O)NCC(c2ccccc2)c2ccccc2)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
CYP2D6 P10635 1/20 0.50
ALDH1A1 P00352 9/20 0.48
MAPT P10636 8/20 0.48
HPGD P15428 7/20 0.48
LMNA P02545 2/20 0.48
PLA2G1B P04054 1/20 0.48
MAPK1 P28482 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL4080663 0.83 TAS1R3 (0.43) CYP1A2CYP2D6ALDH1A1MAPTHPGD
SCHEMBL4092618 0.81 CYP1A2 (0.51) CYP1A2CYP2D6ALDH1A1MAPTHPGD
SCHEMBL4090413 0.80 NPC1 (0.55) CYP1A2CYP2D6ALDH1A1MAPTHPGD
SCHEMBL4080989 0.80 CNR2 (0.46) CYP1A2CYP2D6ALDH1A1MAPTHPGD
SCHEMBL4090499 0.78 CNR2 (0.46) CYP1A2CYP2D6ALDH1A1MAPTHPGD
SCHEMBL4084751 0.77 CNR2 (0.58) CYP1A2CYP2D6ALDH1A1MAPTHPGD
SCHEMBL4086661 0.77 CNR2 (0.45) CYP1A2CYP2D6ALDH1A1MAPTHPGD
SCHEMBL4080147 0.77 HPGD (0.52) CYP1A2ALDH1A1MAPTHPGDLMNA
SCHEMBL4086545 0.76 CNR2 (0.42) CYP1A2CYP2D6ALDH1A1MAPTHPGD
SCHEMBL4090830 0.76 ALDH1A1 (0.61) ALDH1A1MAPTHPGDLMNAMAPK1

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 CYP1A2 847/4885CYP2D6 1121/4885ALDH1A1 1504/4885

“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.