SCHEMBL1995411

SCHEMBL1995411

COc1cc(C)ccc1S(=O)(=O)n1ccc2c3c(ccc21)OCCN(C(=O)OC(C)(C)C)C3C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 1/20 0.37
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
EPHX2 P34913 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
TGM1 P22735 1/20 0.34
AKR1C3 P42330 1/20 0.34
HTR6 P50406 2/20 0.33
FABP4 P15090 2/20 0.33
RORC P51449 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
AVPR1B P47901 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL1998005 0.94 TSHR (0.39) HCRTR1HCRTR2ALDH1A1PPARGPPARD
SCHEMBL4563388 0.90 MCOLN3 (0.39) MCOLN3HCRTR1HCRTR2EPHX2ALDH1A1
SCHEMBL1995995 0.85 HTR6 (0.36) HTR6
SCHEMBL1996187 0.84 FABP4 (0.39) EPHX2HTR6FABP4
SCHEMBL1997467 0.84 ALDH1A1 (0.38) ALDH1A1F13A1TGM2TGM1HTR6
SCHEMBL1994638 0.84 ALDH1A1 (0.33) ALDH1A1HTR6MAPTGAATSHR
SCHEMBL1997745 0.82 TSHR (0.39) HCRTR1HCRTR2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL1994506 0.82 HTR6 (0.46) HTR6
SCHEMBL1998988 0.82 HTR6 (0.33) HTR6MAPT
SCHEMBL2005904 0.80 PKLR (0.37) HTR6FABP4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960374-B2 e.g. 2,5-methylene-9-(phenylsulfonyl)-1,2,3,4,5,9-hexahydro[1,5]oxazocino[3,2-e]indole; serotonin receptors antagonist or partial agonist; metabolic diseases, e.g. obesity, insulin resisitance, type 2 diabetes, eating disorders; antidepressant, anxiolytic agent; cosmetics PROXIMAGEN LIMITED (GB) 2011-06-14 US disclosed
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 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 (1 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-20080176829-A1 Compounds HTR6, HTR1B, HTR1A MCOLN3 1267/4885HCRTR1 67/4885HCRTR2 118/4885

“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.