SCHEMBL4085942

SCHEMBL4085942

Cc1sc(NC(=O)C2C(C)(C)C2(C)C)c(C(=O)NCc2cccc(I)c2)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 3/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 3/20 0.37
LMNA P02545 3/20 0.37
MAPK8 P45983 1/20 0.37
PLA2G1B P04054 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4092590 0.79 CYP1A2 (0.39) CYP1A2CYP2D6MEN1KMT2APOLB
SCHEMBL4090830 0.77 ALDH1A1 (0.61) POLBMAPTALDH1A1KDM4ETSHR
SCHEMBL4092618 0.77 CYP1A2 (0.51) CYP1A2CYP2D6MEN1KMT2APOLB
SCHEMBL4080989 0.76 CNR2 (0.46) CYP1A2CYP2D6MEN1KMT2APOLB
SCHEMBL4086554 0.74 CYP1A2 (0.50) CYP1A2CYP2D6MEN1KMT2APOLB
SCHEMBL4084751 0.74 CNR2 (0.58) CYP1A2CYP2D6MEN1KMT2APOLB
SCHEMBL4080663 0.73 TAS1R3 (0.43) CYP1A2CYP2D6KMT2APOLBCYP2C9
SCHEMBL4086545 0.73 CNR2 (0.42) CYP1A2CYP2D6KMT2APOLBCYP2C9
SCHEMBL4092577 0.72 CNR2 (0.51) CYP1A2CYP2D6MEN1KMT2APOLB
SCHEMBL4090499 0.72 CNR2 (0.46) CYP1A2CYP2D6MEN1KMT2APOLB

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 1121/4885MEN1 3065/4885

“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.