SCHEMBL4090413

SCHEMBL4090413

Cc1sc(NC(=O)C2C(C)(C)C2(C)C)c(C(=O)NCCOc2ccccc2)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
POLB P06746 4/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 6/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
RECQL P46063 1/20 0.43
MAPT P10636 3/20 0.43
MAPK1 P28482 3/20 0.43
LMNA P02545 2/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43

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
SCHEMBL4084838 0.82 ALDH1A1 (0.49) POLBCYP1A2CYP2D6HPGDSMN1; SMN2
SCHEMBL4092618 0.82 CYP1A2 (0.51) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL4091396 0.81 CNR2 (0.46) POLBKMT2AMEN1CYP1A2CYP2D6
SCHEMBL4086670 0.81 CNR2 (0.47) POLBKMT2AMEN1CYP1A2CYP2D6
SCHEMBL4086554 0.80 CYP1A2 (0.50) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL4091477 0.80 CNR2 (0.44) NPC1RAB9AKMT2AMEN1CYP1A2
SCHEMBL4080873 0.79 TSHR (0.44) POLBKMT2AMEN1CYP1A2CYP2D6
SCHEMBL4086207 0.79 CNR2 (0.46) POLBKMT2AMEN1CYP1A2CYP2D6
SCHEMBL4090499 0.78 CNR2 (0.46) POLBKMT2AMEN1CYP1A2CYP2D6
SCHEMBL4092577 0.78 CNR2 (0.51) RAB9APOLBKMT2AMEN1CYP1A2

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 NPC1 564/4885RAB9A 1141/4885POLB 4721/4885

“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.