SCHEMBL3684643

SCHEMBL3684643

CCCCCC(=O)Nc1sc2c(c1C(=O)N(C)C)CCCC2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.74
HTT P42858 1/20 0.74
SMN1; SMN2 Q16637 4/20 0.65
KMT2A Q03164 2/20 0.65
RAB9A P51151 2/20 0.65
MEN1 O00255 1/20 0.65
MAPK10 P53779 1/20 0.65
KIF11 P52732 1/20 0.56
MAPT P10636 3/20 0.56
HPGD P15428 2/20 0.55
LMNA P02545 2/20 0.55
FLT3 P36888 1/20 0.54
KDM4E B2RXH2 5/20 0.54
POLB P06746 2/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.51
NPC1 O15118 1/20 0.50
TP53 P04637 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ABCC1 P33527 1/20 0.49

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
SCHEMBL6437345 0.85 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2KMT2ARAB9AMEN1
SCHEMBL3125764 0.85 ALDH1A1 (0.88) ALDH1A1SMN1; SMN2KMT2ARAB9AMEN1
SCHEMBL24104916 0.84 ALDH1A1 (0.67) ALDH1A1HTTSMN1; SMN2KMT2ARAB9A
SCHEMBL8288697 0.84 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2KMT2ARAB9AMEN1
SCHEMBL8288672 0.83 ALDH1A1 (0.93) ALDH1A1SMN1; SMN2KMT2ARAB9AMEN1
SCHEMBL17816985 0.82 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2KMT2ARAB9AMEN1
SCHEMBL3648831 0.82 KDM4E (0.78) ALDH1A1SMN1; SMN2KMT2ARAB9AMEN1
SCHEMBL8288688 0.82 ALDH1A1 (0.91) ALDH1A1SMN1; SMN2KMT2ARAB9AMEN1
SCHEMBL5457782 0.81 ALDH1A1 (0.95) ALDH1A1SMN1; SMN2KMT2ARAB9AMEN1
SCHEMBL3646473 0.81 KDM4E (0.76) ALDH1A1SMN1; SMN2KMT2ARAB9AMEN1

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 4 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
EP-2176219-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-04-21 EP disclosed
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 US disclosed
WO-2009009550-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 WO 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 1504/4885HTT 3826/4885SMN1; SMN2 3100/4885

“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.