SCHEMBL4004754

SCHEMBL4004754

CC(C)CNC(=O)c1ccc(S(=O)(=O)n2cc(C3CCCC3)c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.50
TNFSF11 O14788 1/20 0.43
DRD2 P14416 1/20 0.43
KLK7 P49862 1/20 0.42
PLK1 P53350 1/20 0.42

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
SCHEMBL1413480 0.86 HTR6 (0.52) HTR6TNFSF11DRD2
SCHEMBL1413432 0.84 HTR6 (0.58) HTR6DRD2KLK7
SCHEMBL1413824 0.83 HTR6 (0.48) HTR6TNFSF11DRD2
SCHEMBL1413569 0.83 HTR6 (0.55) HTR6
SCHEMBL1413492 0.83 HTR6 (0.57) HTR6DRD2KLK7
SCHEMBL1413691 0.82 HTR6 (0.48) HTR6
SCHEMBL1413818 0.82 HTR6 (0.54) HTR6
SCHEMBL4142896 0.82 HTR6 (0.48) HTR6TNFSF11DRD2KLK7
SCHEMBL1413495 0.82 ALDH1A1 (0.54) HTR6
SCHEMBL1413483 0.81 MEN1 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 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 (2 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-20070088018-A1 Cb1 antagonist compounds CNR1, CNR2, CHRNA5 HTR6 172/4885TNFSF11 137/4885DRD2 325/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG HTR6 142/4885TNFSF11 122/4885DRD2 398/4885

“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.