SCHEMBL1413772

SCHEMBL1413772

O=C(NCC1CCCCO1)c1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
HTR6 P50406 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CXCR3 P49682 1/20 0.50
CYP2C9 P11712 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
NAMPT P43490 1/20 0.48
RECQL P46063 1/20 0.48
ATM Q13315 1/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL1413832 0.97 HPGD (0.56) HPGDHTR6MEN1KMT2ACXCR3
SCHEMBL1413496 0.97 HPGD (0.56) HPGDHTR6MEN1KMT2ACXCR3
SCHEMBL1413497 0.97 HPGD (0.56) HPGDHTR6MEN1KMT2ACXCR3
SCHEMBL1413808 0.87 MEN1 (0.51) HPGDHTR6MEN1KMT2ACXCR3
SCHEMBL1413902 0.85 HPGD (0.49) HPGDHTR6MEN1KMT2ACXCR3
SCHEMBL1413816 0.85 HTR6 (0.58) HTR6CXCR3L3MBTL1CA12CA1
SCHEMBL1413484 0.85 MEN1 (0.54) HPGDMEN1KMT2ACXCR3CYP2C9
SCHEMBL1413483 0.85 MEN1 (0.54) HPGDMEN1KMT2ACXCR3CYP2C9
SCHEMBL1413779 0.85 HTR6 (0.53) HPGDHTR6CXCR3L3MBTL1NAMPT
SCHEMBL1413625 0.84 HTR6 (0.52) HTR6L3MBTL1ALDH1A1CA12CA1

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 12 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-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 HPGD 2824/4885HTR6 172/4885MEN1 157/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG HPGD 2866/4885HTR6 142/4885MEN1 183/4885

“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.