SCHEMBL3034196

SCHEMBL3034196

[S]CCCc1cc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.56
HRH3 Q9Y5N1 3/20 0.53
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
CHRNA7 P36544 2/20 0.47
IDO1 P14902 1/20 0.46
AHR P35869 1/20 0.45
BCHE P06276 1/20 0.44
HRH4 Q9H3N8 1/20 0.44

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
SCHEMBL6860219 0.88 LOXL2 (0.64) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL7169246 0.84 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL31059889 0.84 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL28335219 0.82 LOXL2 (0.67) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL1713962 0.81 LOXL2 (0.67) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL2071314 0.81 LOXL2 (0.56) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL6026168 0.81 LOXL2 (0.56) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL5460356 0.81 LOXL2 (0.56) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL3193911 0.81 BCHE (0.56) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL3272996 0.81 LOXL2 (0.56) LOXL2HRH3MTNR1AMTNR1BCHRNA7

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-1745002-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-11-03 EP disclosed
US-20100210653-A1 Novel Compounds, Their Preparations and Use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-19 US disclosed
US-20080114036-A1 Novel Compounds, Their Preparations And Use NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
EP-1745002-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 EP disclosed
WO-2005105725-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 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-20100210653-A1 Novel Compounds, Their Preparations and Use PPARG, PPARD, PPARA LOXL2 2145/4885HRH3 3486/4885MTNR1A 141/4885
US-20080114036-A1 Novel Compounds, Their Preparations And Use PPARG, PPARD, GPR119 LOXL2 1687/4885HRH3 3948/4885MTNR1A 431/4885

“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.