Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of 4-Fluoro-Piperidinium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| 4-Fluoro-Piperidinium SCHEMBL9503 | 0.96 | — | — | |
| 4-Fluoro-Piperidinium SCHEMBL63302 | 0.93 | — | — | |
| SCHEMBL13003168 | 0.84 | — | — | |
| SCHEMBL16925493 | 0.84 | — | — | |
| 4-Fluoro-Piperidinium SCHEMBL28767900 | 0.84 | GABRA1 (0.36) | — | |
| 4,4-Difluoro-Piperidinium SCHEMBL7446490 | 0.78 | — | — | |
| SCHEMBL25045693 | 0.76 | — | — | |
| SCHEMBL233084 | 0.76 | — | — | |
| SCHEMBL231907 | 0.76 | — | — | |
| SCHEMBL305052 | 0.76 | — | — |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2280001-B1 | LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT | MSD KK (JP) | 2014-10-15 | — | — | EP | disclosed |
| US-8623883-B2 | 4-phenylamino-quinazolin-6-yl-amides | WARNER-LAMBERT COMPANY LLC (US) | 2014-01-07 | — | — | US | disclosed |
| US-20130274275-A1 | 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES | WARNER-LAMBERT COMPANY LLC | 2013-10-17 | — | — | US | disclosed |
| US-8466165-B2 | 4-phenylamino-quinazolin-6-yl-amides | WARNER-LAMBERT COMPANY LLC (US) | 2013-06-18 | — | — | US | disclosed |
| US-8420823-B2 | Long-chain fatty acyl elongase inhibitor comprising arylsulfonyl derivative as active ingredient | MSD K.K. (JP) | 2013-04-16 | — | — | US | disclosed |
| EP-1746999-B1 | 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES | WARNER LAMBERT CO (US) | 2011-11-16 | — | — | EP | disclosed |
| US-8048893-B2 | Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them | AVENTIS PHARMA SA (FR) | 2011-11-01 | — | — | US | disclosed |
| US-20110262877-A1 | HEAT TREATMENT APPARATUS | IHI CORPORATION (JP) | 2011-10-27 | — | — | US | disclosed |
| CN-102174017-A | Pyrazolyl derivatives in the form of drugs for treating acute or chronic neuronal regressions | AVENTIS PHARMA SA | 2011-09-07 | — | — | CN | disclosed |
| EP-2280001-A1 | LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT | Banyu Pharmaceutical Co., Ltd. (JP) | 2011-02-02 | — | — | EP | disclosed |
| EP-1746999-A1 | 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES | Warner-Lambert Company LLC (US) | 2007-01-31 | — | — | EP | disclosed |
| US-20060100213-A1 | Triazoles and methods of use | AMGEN INC. (US) | 2006-05-11 | — | — | US | disclosed |
| US-20060100216-A1 | Novel B1 bradykinin receptor antagonists | AMGEN INC. (US) | 2006-05-11 | — | — | US | disclosed |
| WO-2006044412-A1 | NOVEL B1 BRADYKININ RECEPTOR ANTAGONISTS | AMGEN INC. (US) | 2006-04-27 | — | — | WO | disclosed |
| WO-2006044355-A1 | TRIAZOLES AND THEIR USE AS BRADYKININ B1 RECEPTOR ANTAGONISTS | AMGEN INC. (US) | 2006-04-27 | — | — | WO | disclosed |
| WO-2006036664-A1 | SUBSTITUTED SULFONAMIDOPROPIONAMIDES AND METHODS OF USE | AMGEN INC. (US) | 2006-04-06 | — | — | WO | disclosed |
| WO-2005107758-A1 | 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES | WARNER-LAMBERT COMPANY LLC (US) | 2005-11-17 | — | — | WO | disclosed |
| US-20050250761-A1 | such as -Piperidin-1-yl-but-2-enoic acid [4(3-chloro-4-fluoro-phenylamino)-7-methoxy-quinazolin-6-yl]-amide, used as tyrosine kinase inhibitors, for the prevention of proliferative diseases, including cancer, atherosclerosis, restenosis, endometriosis and psoriasis | PFIZER INC | 2005-11-10 | — | — | US | disclosed |
| US-20050165005-A1 | Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them | AVENTIS PHARMA S.A. (FR) | 2005-07-28 | — | — | US | disclosed |
| US-20050075320-A1 | Gamma-secretase inhibitors | MERCK SHARP & DOHME LTD. (GB) | 2005-04-07 | — | — | US | disclosed |