SCHEMBL3670679

SCHEMBL3670679

N#Cc1cccc([C@H](c2ccc(Cl)cc2)N2CC(CC(=O)O)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.43
SLC6A9 P48067 2/20 0.42
CNR1 P21554 5/20 0.42
CNR2 P34972 4/20 0.42
CACNA2D1 P54289 6/20 0.41
CACNB1 Q02641 6/20 0.41
CACNA1B Q00975 5/20 0.41
CACNA1C Q13936 4/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1A O00555 1/20 0.40
HRH1 P35367 2/20 0.40
SLC6A2 P23975 1/20 0.40
HRH2 P25021 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TEK Q02763 1/20 0.40
KCNH2 Q12809 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
SCHEMBL3670680 1.00 MGLL (0.43) MGLLSLC6A9CNR1CNR2CACNA2D1
SCHEMBL1500614 0.83 MGLL (0.43) MGLLCNR1CNR2SLC6A2SLC6A4
SCHEMBL1500612 0.83 MGLL (0.43) MGLLCNR1CNR2SLC6A2SLC6A4
SCHEMBL14769296 0.77 SLC6A9 (0.52) SLC6A9CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL1500702 0.77 MGLL (0.42) MGLLCNR1CNR2SLC6A2SLC6A4
SCHEMBL1500704 0.77 MGLL (0.42) MGLLCNR1CNR2SLC6A2SLC6A4
SCHEMBL4683968 0.75 CNR1 (0.37) MGLLCNR1CNR2KCNH2
SCHEMBL4479263 0.74 MGLL (0.38) MGLLSLC6A9CNR1CNR2HRH1
SCHEMBL4479268 0.74 MGLL (0.38) MGLLSLC6A9CNR1CNR2HRH1
SCHEMBL3673122 0.74 MGLL (0.41) MGLLSLC6A9CNR1CNR2CACNA2D1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081642-A1 CB-1 RECEPTOR MODULATOR PHARMACEUTICAL FORMULATIONS MERCK SHARP & DOHME CORP. 2010-04-01 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-20100081642-A1 CB-1 RECEPTOR MODULATOR PHARMACEUTICAL FORMULATIONS CNR1, CNR2, GPBAR1 MGLL 625/4885SLC6A9 2355/4885CNR1 1/4885

“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.