SCHEMBL3429469

SCHEMBL3429469

c1ccc(SC2CCCCN2c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.39
MBTD1 Q05BQ5 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRH3 Q9Y5N1 4/20 0.38
SLC18A3 Q16572 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR1 O14842 2/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5788854 0.95 KMT2A (0.40) USP30MBTD1L3MBTL3L3MBTL1HRH3
SCHEMBL8818649 0.77 CARM1 (0.36) MBTD1L3MBTL3L3MBTL1CARM1PRMT6
SCHEMBL9024971 0.75 KMT2A (0.41) USP30MBTD1L3MBTL3L3MBTL1HRH3
SCHEMBL11066306 0.75 SLC18A3 (0.40) MBTD1L3MBTL3L3MBTL1HRH3SLC18A3
SCHEMBL20855371 0.73 NPC1 (0.40) HRH3KMT2A
SCHEMBL16971308 0.73 SLC6A2 (0.55)
SCHEMBL28129658 0.73 USP30 (0.53) USP30MBTD1L3MBTL3L3MBTL1HRH3
SCHEMBL11126855 0.71 DPP4 (0.36) HRH3SLC18A3MAOAMAOB
SCHEMBL15272853 0.71 USP30 (0.50) USP30MBTD1L3MBTL3L3MBTL1HRH3
SCHEMBL3021428 0.71 MBTD1 (0.43) USP30MBTD1L3MBTL3L3MBTL1SLC18A3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101959859-B Process for the manufacture of [phenylsulfanylphenyl]piperidines LUNDBECK & CO AS H 2013-08-14 CN disclosed
US-8362255-B2 Process for the manufacture of [phenylsulfanylphenyl]piperidines H. LUNDBECK A/S (DK) 2013-01-29 US disclosed
US-20110054178-A1 PROCESS FOR THE MANUFACTURE OF [PHENYLSULFANYLPHENYL]PIPERIDINES H. LUNDBECK A/S (DK) 2011-03-03 US disclosed
CN-101970408-A 4- [2, 3-difluoro-6- (2-fluoro-4-methyl-phenylsulfanyl) -phenyl ] -piperidine LUNDBECK & CO AS H 2011-02-09 CN disclosed
CN-101959859-A Process for the manufacture of [phenylsulfanylphenyl]piperidines LUNDBECK & CO AS H 2011-01-26 CN disclosed
EP-2260024-A1 PROCESS FOR THE MANUFACTURE OF [PHENYLSULFANYLPHENYL] PIPERIDINES H. Lundbeck A/S (DK) 2010-12-15 EP disclosed
WO-2009109541-A1 PROCESS FOR THE MANUFACTURE OF [PHENYLSULFANYLPHENYL]PIPERIDINES H. LUNDBECK A/S (DK) 2009-09-11 WO disclosed
US-4198419-A Phenylthiophenylpiperidines AMERICAN HOECHST CORPORATION (US) 1980-04-15 US disclosed
US-4198419-A Phenylthiophenylpiperidines AMERICAN HOECHST CORPORATION (US) 1980-04-15 US disclosed
US-4198419-A Phenylthiophenylpiperidines AMERICAN HOECHST CORPORATION (US) 1980-04-15 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-20110054178-A1 PROCESS FOR THE MANUFACTURE OF [PHENYLSULFANYLPHENYL]PIPERIDINES NPEPPS, UMPS, DHPS USP30 194/4885MBTD1 3099/4885L3MBTL3 3031/4885

“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.