SCHEMBL3428277

SCHEMBL3428277

c1ccc(Sc2ccccc2N2CCCCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.70
HTR3A P46098 17/20 0.70
CYP1A2 P05177 6/20 0.54
CYP3A4 P08684 6/20 0.54
CYP2D6 P10635 6/20 0.54
CYP2C9 P11712 6/20 0.54
CHRNA7 P36544 1/20 0.51
KEAP1 Q14145 1/20 0.48
MAPK1 P28482 1/20 0.47

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
SCHEMBL27863534 0.86 HTR1A (0.73) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL6531046 0.85 HTR1A (0.53) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL27846478 0.82 HTR1A (0.50) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL14734867 0.82 HTR1A (1.00) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL6531051 0.79 HTR1A (0.71) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL15856950 0.77 HTR1A (0.59) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL17752147 0.76 HTR1A (0.57) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL6531047 0.75 GAA (0.46) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL27934132 0.75 MAPK1 (0.74) KEAP1MAPK1
SCHEMBL30100764 0.75 GAA (0.48) HTR1AHTR3ACYP1A2CYP3A4CYP2D6

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 19 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
CN-101959859-B Process for the manufacture of [phenylsulfanylphenyl]piperidines LUNDBECK & CO AS H 2013-08-14 CN disclosed
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-8362255-B2 Process for the manufacture of [phenylsulfanylphenyl]piperidines H. LUNDBECK A/S (DK) 2013-01-29 US disclosed
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
US-20110054178-A1 PROCESS FOR THE MANUFACTURE OF [PHENYLSULFANYLPHENYL]PIPERIDINES H. LUNDBECK A/S (DK) 2011-03-03 US disclosed
CN-101959859-A Process for the manufacture of [phenylsulfanylphenyl]piperidines LUNDBECK & CO AS H 2011-01-26 CN disclosed
CN-101959859-A Process for the manufacture of [phenylsulfanylphenyl]piperidines LUNDBECK & CO AS H 2011-01-26 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
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
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 HTR1A 1380/4885HTR3A 1417/4885CYP1A2 451/4885

“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.