SCHEMBL6531047

SCHEMBL6531047

Cc1cccc(N2CCCCC2)c1Sc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
HTR1A P08908 8/20 0.46
HTR3A P46098 8/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KEAP1 Q14145 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
LIPE Q05469 1/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
ADRB1 P08588 1/20 0.40
NCF1 P14598 1/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL6531046 0.78 HTR1A (0.53) GAAHTR1AHTR3AKEAP1MEN1
SCHEMBL27914421 0.78 NCF1 (0.47) GAAHTR1AHTR3AL3MBTL1MAPT
SCHEMBL31468714 0.75 ADRB1 (0.64) GAAL3MBTL1MAPTNPSR1KEAP1
SCHEMBL329728 0.75 ADRB1 (0.64) GAAL3MBTL1MAPTNPSR1KEAP1
SCHEMBL2332676 0.75 ADRB1 (0.64) GAAL3MBTL1MAPTNPSR1KEAP1
SCHEMBL329640 0.75 ADRB1 (0.64) GAAL3MBTL1MAPTNPSR1KEAP1
SCHEMBL5887695 0.75 TSHR (0.43) GAAL3MBTL1MAPTCYP1A2CYP2C9
SCHEMBL3428277 0.75 HTR1A (0.70) HTR1AHTR3AKEAP1MAPK1CYP1A2
Hydrochloric Acid SCHEMBL6767674 0.74 ADRB1 (0.62) GAAL3MBTL1MAPTNPSR1KEAP1
SCHEMBL21065736 0.74 ADRB1 (0.62) GAAL3MBTL1MAPTNPSR1KEAP1

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-8362255-B2 Process for the manufacture of [phenylsulfanylphenyl]piperidines H. LUNDBECK A/S (DK) 2013-01-29 US disclosed
EP-2260024-B1 PROCESS FOR THE MANUFACTURE OF [PHENYLSULFANYLPHENYL] PIPERIDINES LUNDBECK & CO AS H (DK) 2011-12-28 EP disclosed
US-20110054178-A1 PROCESS FOR THE MANUFACTURE OF [PHENYLSULFANYLPHENYL]PIPERIDINES H. LUNDBECK A/S (DK) 2011-03-03 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 GAA 427/4885HTR1A 1380/4885HTR3A 1417/4885

“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.