SCHEMBL1413484

SCHEMBL1413484

O=C(NCC1CCCO1)c1ccc(S(=O)(=O)n2cc(C3CCCC3)c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
GAA P10253 3/20 0.52
RECQL P46063 1/20 0.51
CYP2C9 P11712 1/20 0.51
CXCR3 P49682 1/20 0.49
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
NAMPT P43490 2/20 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
SCHEMBL1413483 1.00 MEN1 (0.54) MEN1KMT2AHPGDSMN1; SMN2TSHR
SCHEMBL1413808 0.98 MEN1 (0.51) MEN1KMT2AHPGDSMN1; SMN2TSHR
SCHEMBL1413734 0.96 KMT2A (0.53) MEN1KMT2AHPGDSMN1; SMN2TSHR
SCHEMBL4005238 0.96 KMT2A (0.53) MEN1KMT2AHPGDSMN1; SMN2TSHR
SCHEMBL12810404 0.96 KMT2A (0.53) MEN1KMT2AHPGDSMN1; SMN2TSHR
SCHEMBL1413902 0.95 HPGD (0.49) MEN1KMT2AHPGDSMN1; SMN2TSHR
SCHEMBL1413824 0.87 HTR6 (0.48) SMN1; SMN2POLBNAMPT
SCHEMBL1413480 0.87 HTR6 (0.52) POLB
SCHEMBL1413691 0.86 HTR6 (0.48) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL1413496 0.86 HPGD (0.56) MEN1KMT2AHPGDSMN1; SMN2TSHR

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