SCHEMBL1775743

SCHEMBL1775743

CC(C)(C)c1ccc(Sc2ccc3ccnc(N4CCCN(C(=O)O)CC4)c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.39
TRPA1 O75762 2/20 0.39
KCNH2 Q12809 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
GBA1 P04062 4/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
CNR2 P34972 3/20 0.36
MGLL Q99685 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL1776302 0.96 TRPV1 (0.41) TRPV1TRPA1KCNH2TRPM8ALDH1A1
SCHEMBL1775315 0.89 HCAR2 (0.44) ALDH1A1SMN1; SMN2HTTHCAR2NPSR1
SCHEMBL1774917 0.87 SMN1; SMN2 (0.44) TRPV1TRPA1ALDH1A1SMN1; SMN2MEN1
SCHEMBL1776416 0.86 HCAR2 (0.38) ALDH1A1HTTKMT2AGBA1MAPT
SCHEMBL1775231 0.85 HTR1A (0.39) HCAR2CNR2NPSR1
SCHEMBL1775933 0.85 HCAR2 (0.47) ALDH1A1SMN1; SMN2HTTMAPTHCAR2
SCHEMBL1775813 0.84 CNR2 (0.38) ALDH1A1SMN1; SMN2HTTPDGFRBHCAR2
SCHEMBL12601538 0.82 PDE10A (0.51) GBA1
SCHEMBL1774920 0.79 HTR1A (0.40) TRPV1TRPA1ALDH1A1GBA1MAPT
SCHEMBL1774429 0.78 HTR1A (0.46) ALDH1A1SMN1; SMN2MEN1KMT2APDGFRB

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
US-7943639-B2 Such as 6-benzenesulfonyl-4-piperazin-1-yl-quinoline hydrochloride; for treatment of central nervous system and/or 5- HT6 receptor related disorders; for weight gain/loss PROXIMAGEN LIMITED (GB) 2011-05-17 US disclosed
EP-1897876-A2 Compounds useful for the treatment of obesity, type II diabetes and CNS disorders Biovitrum AB (publ) (SE) 2008-03-12 EP disclosed
EP-1513828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS Biovitrum AB (SE) 2005-03-16 EP disclosed
US-20040024210-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-05 US disclosed
WO-2004000828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS BIOVITRUM AB (SE) 2003-12-31 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 (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-20040024210-A1 New compounds SULT1E1, SULT2A1, SULT1A1 TRPV1 1164/4885TRPA1 1510/4885KCNH2 1763/4885

“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.