SCHEMBL4010049

SCHEMBL4010049

O=C(NC1CCOCC1)c1ccc(S(=O)(=O)n2nc(C3CCCC3)c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 5/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 3/20 0.42
NAMPT P43490 1/20 0.42
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL5005889 0.86 LMNA (0.46) GAAALDH1A1NAMPTPOLBLMNA
SCHEMBL4009208 0.82 RORC (0.46) GAAKMT2AMEN1
SCHEMBL5010366 0.81 CA2 (0.48) ALDH1A1NAMPTPOLBLMNAKDM4E
SCHEMBL1413690 0.81 GAA (0.54) GAAALDH1A1KMT2AMAPK1MEN1
SCHEMBL4007258 0.80 GLA (0.46) GAAALDH1A1KMT2AMAPK1MEN1
SCHEMBL5411251 0.80 MEN1 (0.53) GAAKMT2AMEN1NAMPTPOLB
SCHEMBL5413378 0.80 MEN1 (0.53) GAAKMT2AMEN1NAMPTPOLB
SCHEMBL5411256 0.80 MEN1 (0.53) GAAKMT2AMEN1NAMPTPOLB
SCHEMBL4009211 0.80 GAA (0.56) GAAALDH1A1KMT2AMAPK1MEN1
SCHEMBL5006331 0.79 USP5 (0.41) ALDH1A1KMT2AMEN1LMNA

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
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 GAA 1347/4885ALDH1A1 3227/4885KMT2A 2691/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG GAA 1364/4885ALDH1A1 3181/4885KMT2A 2789/4885

“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.