SCHEMBL1776302

SCHEMBL1776302

CC(C)(C)c1ccc(Sc2ccc3ccnc(N4CCN(C(=O)O)CC4)c3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.41
TRPA1 O75762 3/20 0.41
KCNH2 Q12809 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
PDGFRB P09619 3/20 0.39
PDGFRA P16234 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
MGLL Q99685 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 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
SCHEMBL1775743 0.96 TRPV1 (0.39) TRPV1TRPA1KCNH2TRPM8PDGFRB
SCHEMBL1775933 0.88 HCAR2 (0.47) ALDH1A1MAPTSMN1; SMN2HCAR2HRH4
SCHEMBL1775315 0.84 HCAR2 (0.44) ALDH1A1SMN1; SMN2HCAR2HRH4HTR1A
SCHEMBL1774917 0.82 SMN1; SMN2 (0.44) TRPV1TRPA1ALDH1A1MAPK1MAPT
SCHEMBL1776416 0.82 HCAR2 (0.38) ALDH1A1MAPTHCAR2HRH4HDAC3
SCHEMBL1774429 0.81 HTR1A (0.46) PDGFRBALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL1775231 0.81 HTR1A (0.39) HCAR2HRH4HTR1AHTR1DHTR1B
SCHEMBL12601534 0.81 KIT (0.52) HCAR2
SCHEMBL1775813 0.80 CNR2 (0.38) PDGFRBALDH1A1SMN1; SMN2HCAR2HTR1A
SCHEMBL1775580 0.78 CNR1 (0.45) TRPV1TRPA1SMN1; SMN2HTR1AHTR1D

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.