SCHEMBL6598457

SCHEMBL6598457

Cc1ccc(S(=O)(=O)OC[C@@H]2CN(C)CC[C@H]2c2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A3 Q01959 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
SCHEMBL6603181 1.00 CYP2D6 (0.46) CYP2D6MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL6598452 1.00 CYP2D6 (0.46) CYP2D6MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL7241761 0.90 SLC6A3 (0.42) SLC6A3
SCHEMBL7246774 0.90 SLC6A3 (0.42) SLC6A3
SCHEMBL9137386 0.90 CYP2D6 (0.40) CYP2D6MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL9149395 0.90 CYP2D6 (0.40) CYP2D6MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL9137378 0.90 CYP2D6 (0.40) CYP2D6MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL1944494 0.85 SLC6A3 (0.45) SLC6A3
SCHEMBL14605737 0.85 SLC6A3 (0.45) SLC6A3
SCHEMBL12538344 0.85 SLC6A3 (0.45) SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286965-B1 PIPERIDINE COMPOUNDS AND PROCESS FOR PROVIDING SUCH SYNTHON BV (NL) 2004-01-14 EP claimed
EP-1286965-A1 PIPERIDINE COMPOUNDS AND PROCESS FOR PROVIDING SUCH Synthon B.V. (NL) 2003-03-05 EP claimed
US-20020099219-A1 Piperidine compounds and process for providing the same SYNTHON BV (NL) 2002-07-25 US claimed
WO-2001085689-A1 PIPERIDINE COMPOUNDS AND PROCESS FOR PROVIDING SUCH SYNTHON B.V. (NL) 2001-11-15 WO claimed
EP-1286965-B1 PIPERIDINE COMPOUNDS AND PROCESS FOR PROVIDING SUCH SYNTHON BV (NL) 2004-01-14 EP disclosed
US-20030187269-A1 Novel process SMITHKLINE BEECHAM PLC (GB) 2003-10-02 US disclosed
EP-1286965-A1 PIPERIDINE COMPOUNDS AND PROCESS FOR PROVIDING SUCH Synthon B.V. (NL) 2003-03-05 EP disclosed
US-20020099219-A1 Piperidine compounds and process for providing the same SYNTHON BV (NL) 2002-07-25 US disclosed
WO-2001085689-A1 PIPERIDINE COMPOUNDS AND PROCESS FOR PROVIDING SUCH SYNTHON B.V. (NL) 2001-11-15 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 (2 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-20020099219-A1 Piperidine compounds and process for providing the same HTR6, TPH1, CYP2D6 CYP2D6 3/4885MEN1 3657/4885CYP1A2 29/4885
US-20030187269-A1 Novel process TPO, KCNH3, HCCS CYP2D6 1818/4885MEN1 149/4885CYP1A2 65/4885

“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.