SCHEMBL12810404

SCHEMBL12810404

O=C(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)n2cc(C3CCOCC3)c3ccccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 3/20 0.53
GAA P10253 3/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RECQL P46063 1/20 0.50
CYP2C9 P11712 1/20 0.50
CXCR3 P49682 1/20 0.48
ATM Q13315 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
NAMPT P43490 1/20 0.47

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
SCHEMBL4005238 1.00 KMT2A (0.53) KMT2AMEN1HPGDGAATSHR
SCHEMBL1413734 1.00 KMT2A (0.53) KMT2AMEN1HPGDGAATSHR
SCHEMBL1413902 0.97 HPGD (0.49) KMT2AMEN1HPGDGAATSHR
SCHEMBL1413484 0.96 MEN1 (0.54) KMT2AMEN1HPGDGAATSHR
SCHEMBL1413483 0.96 MEN1 (0.54) KMT2AMEN1HPGDGAATSHR
SCHEMBL1413808 0.94 MEN1 (0.51) KMT2AMEN1HPGDGAATSHR
SCHEMBL1413801 0.88 HTR6 (0.50) HPGDSMN1; SMN2ALDH1A1POLBNAMPT
SCHEMBL1413799 0.88 HTR6 (0.50) HPGDSMN1; SMN2ALDH1A1POLBNAMPT
SCHEMBL1413824 0.86 HTR6 (0.48) SMN1; SMN2POLBNAMPT
SCHEMBL1413680 0.86 HTR6 (0.50) HPGDSMN1; SMN2ALDH1A1POLBNAMPT

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
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-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 KMT2A 2691/4885MEN1 157/4885HPGD 2824/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG KMT2A 2789/4885MEN1 183/4885HPGD 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.