SCHEMBL5006331

SCHEMBL5006331

CC(C)CNC(=O)c1ccc(S(=O)(=O)n2nc(C3CCCC3)c3ccccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP5 P45974 5/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CNR2 P34972 1/20 0.39
RORC P51449 3/20 0.39
MLYCD O95822 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
THRB P10828 1/20 0.37
S100A4 P26447 1/20 0.37
PPARG P37231 1/20 0.37
RECQL P46063 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37

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
SCHEMBL5010366 0.87 CA2 (0.48) USP5ALDH1A1HDAC6RORCMLYCD
SCHEMBL4007258 0.84 GLA (0.46) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL4013129 0.83 ALDH1A1 (0.48) USP5ALDH1A1MEN1KMT2ARORC
SCHEMBL5005889 0.83 LMNA (0.46) USP5ALDH1A1HPGDLMNA
SCHEMBL5411256 0.82 MEN1 (0.53) HPGDMEN1KMT2ALMNAL3MBTL1
SCHEMBL5413378 0.82 MEN1 (0.53) HPGDMEN1KMT2ALMNAL3MBTL1
SCHEMBL5411251 0.82 MEN1 (0.53) HPGDMEN1KMT2ALMNAL3MBTL1
SCHEMBL4009208 0.82 RORC (0.46) MEN1KMT2ARORC
SCHEMBL4004754 0.80 HTR6 (0.50)
SCHEMBL4010049 0.79 GAA (0.53) ALDH1A1MEN1KMT2ALMNA

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 9 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-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-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 USP5 2721/4885ALDH1A1 3227/4885HPGD 2824/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG USP5 2867/4885ALDH1A1 3181/4885HPGD 2866/4885

“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.