SCHEMBL1776396

SCHEMBL1776396

O=C(O)N1CCCN(c2nccc3sc(Br)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 4/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RY12 Q9H244 1/20 0.35
NAMPT P43490 1/20 0.35
MALT1 Q9UDY8 1/20 0.35

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
SCHEMBL1774258 0.95 RECQL (0.41) RECQLHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL6427191 0.89 ALDH1A1 (0.39) RECQLHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL1775680 0.84 PDE10A (0.46) MEN1KMT2A
SCHEMBL1775118 0.79 KIT (0.48)
SCHEMBL1775392 0.78 HCAR2 (0.43) HSD17B10ALDH1A1PKMKDM4ELMNA
SCHEMBL3689407 0.77 HRH4 (0.51) ALDH1A1HTR2C
SCHEMBL1774919 0.76 HSD11B1 (0.38) RECQLP2RY12MALT1
SCHEMBL13169905 0.75 HTR2C (0.59) HTR2C
SCHEMBL7062965 0.74 MEN1 (0.56) ALDH1A1PKMKDM4ELMNAMEN1
Hydrochloric Acid SCHEMBL3680120 0.74 HTR2C (0.58) KDM4EHTR2C

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 3 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-1897881-A2 Compounds useful for the treatment of obesity, type II diabetes and CNS disorders Biovitrum AB (publ) (SE) 2008-03-12 EP disclosed
US-20040024210-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-05 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-20040024210-A1 New compounds SULT1E1, SULT2A1, SULT1A1 RECQL 3211/4885HSD17B10 646/4885ALDH1A1 705/4885

“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.