SCHEMBL3547677

SCHEMBL3547677

Cc1ccc(Sc2ccc(C)cc2C2CCN(OC(=O)C(=O)ON3CCC(c4cc(C)ccc4Sc4ccc(C)cc4)CC3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.39
HTR3A P46098 6/20 0.39
SLC6A9 P48067 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BLM P54132 1/20 0.38
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PKM P14618 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
SCHEMBL3539799 0.92 SLC6A9 (0.48) HTR1AHTR3ASLC6A9ALDH1A1MAPT
SCHEMBL3545553 0.88 HTR1A (0.39) HTR1AHTR3AHPGDDRD2DRD4
SCHEMBL3543676 0.83 MAPK14 (0.40) HTR1AHTR3AALDH1A1MAPTL3MBTL1
SCHEMBL3538233 0.83 DRD4 (0.35) HTR1AHTR3AMAPTLMNADRD2
SCHEMBL3544775 0.82 HTR1A (0.40) HTR1AHTR3ASLC6A9ALDH1A1MAPT
SCHEMBL3546483 0.81 LMNA (0.36) HTR1AHTR3AMAPTLMNADRD2
SCHEMBL3548483 0.80 ALDH1A1 (0.39) SLC6A9ALDH1A1MAPTL3MBTL1HPGD
SCHEMBL3541664 0.80 SLC6A9 (0.41) HTR1AHTR3ASLC6A9ALDH1A1LMNA
SCHEMBL5744793 0.80 SLC6A9 (0.42) HTR1AHTR3ASLC6A9ALDH1A1MAPT
SCHEMBL3544187 0.79 PTGDR2 (0.42) HTR1ASLC6A9ALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732463-B2 4-(2-phenylsulfanyl-phenyl)-piperidine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2010-06-08 US disclosed
US-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders H.LUNDBECK A/S (DK) 2006-05-11 US disclosed
EP-1626720-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2006-02-22 EP disclosed
WO-2004087156-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2004-10-14 WO 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-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders HTR4, HTR5A, TPH1 HTR1A 11/4885HTR3A 22/4885SLC6A9 1312/4885

“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.