SCHEMBL3320680

SCHEMBL3320680

O=C(O)N1CC(NC2CCc3ccccc3C2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.54
MTNR1B P49286 4/20 0.54
GRIN2B Q13224 6/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
SIGMAR1 Q99720 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
SCN5A Q14524 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
PRMT5 O14744 1/20 0.39

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
SCHEMBL3316638 0.89 GRM7 (0.43) MTNR1AMTNR1BGRIN2BCA1CA2
SCHEMBL3317018 0.82 HTR1D (0.52) MTNR1AMTNR1BCA1CA2PRMT5
SCHEMBL3316278 0.78 MAOA (0.49) CA1CA2MAOAMAOBEPHX1
SCHEMBL459537 0.77 GRIN2B (0.65) MTNR1AMTNR1BGRIN2BCA1CA2
SCHEMBL3318415 0.75 MTNR1A (0.56) MTNR1AMTNR1BGRIN2BCA1CA2
SCHEMBL30612411 0.74 MTNR1A (0.73) MTNR1AMTNR1BGRIN2BCA1CA2
SCHEMBL9851515 0.74 MTNR1A (0.73) MTNR1AMTNR1BGRIN2BCA1CA2
SCHEMBL3320952 0.73 HTT (0.56) EPHX1
SCHEMBL3311200 0.71 GRIN2B (0.50) MTNR1AMTNR1BGRIN2BCA1CA2
SCHEMBL19280183 0.71 THRB (0.34) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R&D) LIMITED (GB) 2010-04-29 US disclosed
EP-1933830-A1 ANTAGONISTS OF SNS SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-06-25 EP disclosed
WO-2007007057-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R & D) LIMITED (GB) 2007-01-18 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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS CNR1, OPRL1, CHRNA10 MTNR1A 42/4885MTNR1B 98/4885GRIN2B 135/4885

“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.