SCHEMBL4351623

SCHEMBL4351623

Cc1ccc(S(=O)(=O)OCCCc2c[nH]c3ccc(F)cc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MPO P05164 16/20 0.54
SLC6A4 P31645 4/20 0.54
HTR1A P08908 1/20 0.51

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
SCHEMBL16433177 0.97 MPO (0.55) MPOSLC6A4HTR1A
SCHEMBL28496644 0.93 MPO (0.51) MPOSLC6A4HTR1A
SCHEMBL9213281 0.91 HTR2A (0.48) MPOSLC6A4HTR1A
SCHEMBL9215791 0.87 SLC6A4 (0.52) SLC6A4HTR1A
SCHEMBL16433094 0.86 MAPT (0.57) SLC6A4HTR1A
SCHEMBL16433322 0.84 SLC6A4 (0.55) SLC6A4HTR1A
SCHEMBL320187 0.84 NR3C1 (0.52) SLC6A4HTR1A
SCHEMBL3702253 0.83 MPO (0.62) MPOSLC6A4
SCHEMBL16432776 0.83 SLC6A4 (0.51) SLC6A4HTR1A
SCHEMBL16433285 0.83 MAPT (0.56) SLC6A4HTR1A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112209917-B Application of heterocyclic substituted phenylpiperazine or phenylpiperidine derivatives in antidepressant drugs 上海医药工业研究院 2021-09-24 CN disclosed
CN-112209917-A Application of heterocyclic substituted phenyl piperazine (pyridine) derivatives in antidepressant drugs 上海医药工业研究院 2021-01-12 CN disclosed
EP-3027607-B1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2020-08-26 EP disclosed
US-9714232-B2 Substituted piperazine compounds and methods of use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-07-25 US disclosed
US-9598401-B2 Substituted heteroaryl compounds and methods of use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-03-21 US disclosed
US-20160244429-A1 Substituted Piperazine Compounds And Methods Of Use Thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-25 US disclosed
EP-3027607-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2016-06-08 EP disclosed
US-20160083370-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-03-24 US disclosed
WO-2015014256-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-02-05 WO disclosed
WO-2009137733-A1 INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION FABRE-KRAMER PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
WO-2000040580-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINYL-METHYL[3-(1H-INDOL-3-YL)-ALKYL]-AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed
WO-1999051575-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO disclosed
US-5434154-A Serotonin agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-18 US disclosed
EP-0464604-B1 1-Indolylalkyl-4-(alkoxy-pyrimidinyl)piperazines BRISTOL MYERS SQUIBB CO (US) 1995-03-29 EP disclosed
EP-0464558-B1 Antimigraine alkoxypyrimidine derivatives BRISTOL MYERS SQUIBB CO (US) 1994-12-28 EP disclosed
US-5300506-A Indole-3-alkyl derivatives of alkoxypyrimidinylpiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1994-04-05 US disclosed
EP-0548813-A1 Antimigraine 4-pyrimidinyl and pyridinyl derivatives of indol-3yl-alkyl piperazines Bristol-Myers Squibb Company (US) 1993-06-30 EP disclosed
EP-0464604-A2 1-Indolylalkyl-4-(alkoxy-pyrimidinyl)piperazines Bristol-Myers Squibb Company (US) 1992-01-08 EP disclosed
EP-0464558-A1 Antimigraine alkoxypyrimidine derivatives Bristol-Myers Squibb Company (US) 1992-01-08 EP disclosed
US-5077293-A Antidepressants BRISTOL-MYERS SQUIBB CO. (US) 1991-12-31 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 (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-20160244429-A1 Substituted Piperazine Compounds And Methods Of Use Thereof HTR5A, HTR2A, HTR2C MPO 1456/4885SLC6A4 19/4885HTR1A 6/4885
US-20160083370-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HTR3B, HTR3A, HTR2C MPO 3540/4885SLC6A4 19/4885HTR1A 4/4885

“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.