SCHEMBL12810399

SCHEMBL12810399

O=C(N[C@H]1CCCC[C@H]1O)c1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 2/20 0.44
PLK1 P53350 1/20 0.42
NAMPT P43490 2/20 0.42
AKR1C3 P42330 1/20 0.40
AKR1C1 Q04828 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM1 P11229 1/20 0.40
CNR1 P21554 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
SCHEMBL12810542 1.00 HTR6 (0.55) HTR6L3MBTL1CA12CA1CA2
SCHEMBL1413852 1.00 HTR6 (0.55) HTR6L3MBTL1CA12CA1CA2
SCHEMBL1413679 1.00 HTR6 (0.55) HTR6L3MBTL1CA12CA1CA2
SCHEMBL1413682 1.00 HTR6 (0.55) HTR6L3MBTL1CA12CA1CA2
SCHEMBL1413736 0.87 L3MBTL1 (0.52) HTR6L3MBTL1CA12CA1CA2
SCHEMBL1413506 0.86 HTR6 (0.59) HTR6L3MBTL1CA12CA1CA2
SCHEMBL1413659 0.84 HTR6 (0.57) HTR6L3MBTL1CA12CA1CA2
SCHEMBL1413662 0.84 HTR6 (0.57) HTR6L3MBTL1CA12CA1CA2
SCHEMBL1413625 0.84 HTR6 (0.52) HTR6L3MBTL1CA12CA1CA2
SCHEMBL12810412 0.84 HTR6 (0.52) HTR6L3MBTL1CA12CA1CA2

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 HTR6 172/4885L3MBTL1 3445/4885CA12 2215/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG HTR6 142/4885L3MBTL1 3496/4885CA12 2139/4885

“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.