SCHEMBL1413293

SCHEMBL1413293

O=C(c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
GAA P10253 1/20 0.67
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
ALDH1A1 P00352 4/20 0.60
MAPT P10636 3/20 0.59
LMNA P02545 2/20 0.59
HPGD P15428 2/20 0.59
HTT P42858 1/20 0.59
MAPK1 P28482 1/20 0.57
AKR1C3 P42330 1/20 0.56
AKR1C1 Q04828 1/20 0.56

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
SCHEMBL4008609 0.88 KMT2A (0.65) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL1413288 0.86 SMN1; SMN2 (0.68) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL665198 0.83 MEN1 (0.87) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL6710105 0.82 MEN1 (0.70) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL664021 0.79 KMT2A (1.00) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL5791144 0.79 MEN1 (0.66) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL17319243 0.78 KMT2A (0.69) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL1495069 0.78 MCL1 (0.69) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL29682974 0.78 MEN1 (0.77) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL395744 0.78 MEN1 (0.77) SMN1; SMN2GAAMEN1KMT2AALDH1A1

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-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US claimed
JP-2007519631-A 2007-07-19 JP claimed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US claimed
EP-1699761-A1 CB1 MODULATOR COMPOUNDS ELI LILLY AND COMPANY (US) 2006-09-13 EP claimed
WO-2005066126-A1 CB1 MODULATOR COMPOUNDS ELI LILLY AND COMPANY (US) 2005-07-21 WO claimed
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
EP-1699761-A1 CB1 MODULATOR COMPOUNDS ELI LILLY AND COMPANY (US) 2006-09-13 EP disclosed
WO-2005066126-A1 CB1 MODULATOR COMPOUNDS ELI LILLY AND COMPANY (US) 2005-07-21 WO 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 SMN1; SMN2 546/4885GAA 1347/4885MEN1 157/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG SMN1; SMN2 628/4885GAA 1364/4885MEN1 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.