Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 5/20 | 0.39 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.39 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.39 |
| ▸ | HTR1A known ✓ | P08908 | 5/20 | 0.39 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 3/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1448564 | 0.91 | ADRB1 (0.50) | ADRB1MAPTHTR6HTR3AHTR3E | |
| SCHEMBL1449825 | 0.81 | PARP1 (0.45) | PARP1DRD2HTR1ALMNA | |
| SCHEMBL4849878 | 0.80 | ADRB1 (0.53) | ADRB1MAPTALDH1A1HPGDHTR6 | |
| Sulfuric Acid SCHEMBL1448555 | 0.77 | PARP1 (0.41) | PARP1DRD2HTR1A | |
| SCHEMBL4260770 | 0.76 | HTR5A (0.43) | ADRB1MAPTHTR3AHTR3EHTR3B | |
| SCHEMBL4252767 | 0.76 | HTR5A (0.46) | ADRB1HTR3AHTR3EHTR3BDRD2 | |
| Hydrochloric Acid SCHEMBL4856053 | 0.75 | DRD2 (0.43) | DRD2HTR1AHTR7LMNA | |
| SCHEMBL1449300 | 0.75 | PARP1 (0.40) | PARP1DRD2HTR1A | |
| SCHEMBL13811817 | 0.75 | ADRB1 (0.44) | ADRB1MAPTHTR6HTR3AHTR3E | |
| SCHEMBL4258576 | 0.75 | ADRB1 (0.50) | ADRB1MAPTALDH1A1HPGDHTR6 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7910734-B2 | Cell adhesion inhibitory action and cell infiltration inhibitory action; inflammatory, autoimmune diseases associated with adhesion and infiltration of leukocytes, inflammatory bowel disease, ulcerative colitis, Crohn's disease, irritable bowel syndrome, rheumatoid arthritis, psoriasis, multiple sclerosi | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-03-22 | — | — | US | disclosed |
| EP-1889827-B1 | PROCESS FOR PRODUCING [2-(3,3,5,5-TETRAMETHYLCYCLOHEXYL)PHENYL]PIPERAZINE | EISAI R&D MAN CO LTD (JP) | 2010-08-25 | — | — | EP | disclosed |
| US-20090163715-A1 | Intermediate in Production of [2-(3,3,5,5-Tetramethylcyclohexyl)phenyl]Piperazine Compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-06-25 | — | — | US | disclosed |
| US-20080161566-A1 | Crystal and Salt of 1-Cyclopropylmethyl-4-[2-(3,3,5,5-Tetramethylcyclohexyl)Phenyl]Piperazine | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2008-07-03 | — | — | US | disclosed |
| EP-1889827-A1 | INTERMEDIATE IN PRODUCTION OF [2-(3,3,5,5-TETRAMETHYLCYCLOHEXYL)PHENYL]PIPERAZINE COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2008-02-20 | — | — | EP | disclosed |
| EP-1832580-A1 | CRYSTAL AND SALT OF 1-CYCLOPROPYLMETHYL-4-Ý2-(3,3,5,5)-TETRAMETHYLCYCLOHEXYL)PHENYL¨PIPERAZINE | Eisai R&D Management Co., Ltd. (JP) | 2007-09-12 | — | — | EP | disclosed |
| US-20060276465-A1 | 1,2-di(cyclic) substituted benzene compounds | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2006-12-07 | — | — | 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 (3 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090163715-A1 | Intermediate in Production of [2-(3,3,5,5-Tetramethylcyclohexyl)phenyl]Piperazine Compound | ICAM1, HRH1, HRH2 | HTR3A 861/4885DRD2 1032/4885DRD3 1115/4885 |
| US-20080161566-A1 | Crystal and Salt of 1-Cyclopropylmethyl-4-[2-(3,3,5,5-Tetramethylcyclohexyl)Phenyl]Piperazine | ICAM1, IL5, VCAM1 | HTR3A 755/4885DRD2 2001/4885DRD3 1878/4885 |
| US-20060276465-A1 | 1,2-di(cyclic) substituted benzene compounds | HRH3, CCR10, HRH1 | HTR3A 1271/4885DRD2 563/4885DRD3 224/4885 |
“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.