SCHEMBL1996014

SCHEMBL1996014

CC1c2c(ccc3c2ccn3S(=O)(=O)c2cccs2)OCCN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 3/20 0.38
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
MAPT P10636 3/20 0.35
POLB P06746 2/20 0.35
PKM P14618 6/20 0.34
HTR6 P50406 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KLK7 P49862 1/20 0.34
ATR Q13535 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
BCHE P06276 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 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
SCHEMBL4418508 0.88 ALDH1A1 (0.39) ALDH1A1MAPK1MAPTPOLBPKM
SCHEMBL1994506 0.86 HTR6 (0.46) HTR6BCHE
SCHEMBL1996187 0.85 FABP4 (0.39) NR1H2HTR6KLK7BCHE
SCHEMBL2005904 0.84 PKLR (0.37) NR1H2NR1H3PKMHTR6BCHE
SCHEMBL1994638 0.83 ALDH1A1 (0.33) ALDH1A1MAPK1MAPTHTR6BCHE
SCHEMBL1995995 0.82 HTR6 (0.36) NR1H2HTR6BCHE
SCHEMBL1998988 0.81 HTR6 (0.33) MAPTHTR6BCHE
SCHEMBL1997467 0.81 ALDH1A1 (0.38) ALDH1A1MAPTPKMHTR6MEN1
SCHEMBL1996405 0.80 PTGDR2 (0.34) HTR6BCHE
SCHEMBL1995411 0.80 MCOLN3 (0.37) ALDH1A1MAPK1MAPTPOLBHTR6

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 ALDH1A1 691/4885MAPK1 2667/4885NR1H2 199/4885

“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.