SCHEMBL1413495

SCHEMBL1413495

O=C(NC1CCC1)c1ccc(S(=O)(=O)n2cc(C3CCCC3)c3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 3/20 0.54
MAPK1 P28482 1/20 0.54
HTR6 P50406 11/20 0.54
GAA P10253 1/20 0.49
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL1413690 0.93 GAA (0.54) ALDH1A1KMT2AMAPK1HTR6GAA
SCHEMBL1413567 0.93 GAA (0.54) ALDH1A1KMT2AMAPK1HTR6GAA
SCHEMBL4009211 0.92 GAA (0.56) ALDH1A1KMT2AMAPK1HTR6GAA
SCHEMBL13688572 0.90 GAA (0.48) ALDH1A1KMT2AMAPK1HTR6GAA
SCHEMBL1413469 0.85 HTR6 (0.63) HTR6LMNA
SCHEMBL4012515 0.84 HTR6 (0.53) ALDH1A1KMT2AHTR6HTT
SCHEMBL1413480 0.84 HTR6 (0.52) HTR6
SCHEMBL1413303 0.84 HTR6 (0.62) HTR6LMNA
SCHEMBL1413506 0.83 HTR6 (0.59) ALDH1A1KMT2AMAPK1HTR6GAA
SCHEMBL1413432 0.83 HTR6 (0.58) KMT2AHTR6MEN1

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 ALDH1A1 3227/4885KMT2A 2691/4885MAPK1 420/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG ALDH1A1 3181/4885KMT2A 2789/4885MAPK1 389/4885

“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.