SCHEMBL1413595

SCHEMBL1413595

N#Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)n3cc(C4CC4)c4ccccc43)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.50
MAOA P21397 1/20 0.46
ALDH1A1 P00352 1/20 0.45
EPHX2 P34913 1/20 0.45
PPARA Q07869 1/20 0.45
RORC P51449 4/20 0.45
NAMPT P43490 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
SCHEMBL1413531 0.96 HTR6 (0.48) HTR6MAOAALDH1A1EPHX2PPARA
SCHEMBL1413514 0.95 HTR6 (0.47) HTR6MAOAALDH1A1EPHX2PPARA
SCHEMBL5411264 0.88 HTR6 (0.56) HTR6ALDH1A1RORC
SCHEMBL1413569 0.84 HTR6 (0.55) HTR6ALDH1A1RORC
SCHEMBL1413743 0.84 HTR6 (0.55) HTR6MAOAALDH1A1EPHX2PPARA
SCHEMBL1413818 0.84 HTR6 (0.54) HTR6ALDH1A1RORC
SCHEMBL1413646 0.83 HTR6 (0.53) HTR6ALDH1A1NAMPT
SCHEMBL1415182 0.81 HTR6 (0.66) HTR6ALDH1A1RORC
SCHEMBL1413510 0.81 HTR6 (0.54) HTR6ALDH1A1RORC
SCHEMBL1413402 0.80 HTR6 (0.57) HTR6ALDH1A1RORCNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699761-B1 CB1 MODULATOR COMPOUNDS LILLY CO ELI (US) 2011-03-16 EP disclosed
EP-1699761-B1 CB1 MODULATOR COMPOUNDS LILLY CO ELI (US) 2011-03-16 EP disclosed
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-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-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 172/4885MAOA 312/4885ALDH1A1 3227/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG HTR6 142/4885MAOA 330/4885ALDH1A1 3181/4885

“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.