SCHEMBL6531046

SCHEMBL6531046

Cc1c(Sc2ccccc2)cccc1N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.53
HTR3A P46098 14/20 0.53
CYP1A2 P05177 7/20 0.48
CYP3A4 P08684 7/20 0.48
CYP2D6 P10635 7/20 0.48
CYP2C9 P11712 7/20 0.48
GAA P10253 1/20 0.46
CHRNA7 P36544 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
KEAP1 Q14145 1/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3428277 0.85 HTR1A (0.70) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL27863534 0.79 HTR1A (0.73) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL6531047 0.78 GAA (0.46) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL26253981 0.75 SIRT1 (0.50) HTR1AHTR3ACYP3A4CYP2D6CYP2C9
SCHEMBL27846478 0.73 HTR1A (0.50) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL6531051 0.72 HTR1A (0.71) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL30228454 0.72 LMNA (0.68) GAAMEN1LMNAKMT2AMAPK1
SCHEMBL9065218 0.72 LMNA (0.68) GAAMEN1LMNAKMT2AMAPK1
SCHEMBL8894088 0.72 LMNA (0.68) GAAMEN1LMNAKMT2AMAPK1
SCHEMBL6105727 0.71 NPC1 (0.54) GAAMEN1LMNAKMT2AHTT

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 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.