Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Cycloheptanamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MMP8 | P22894 | 2/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Cyclooctanamine SCHEMBL11193013 | 1.00 | CES2 (0.43) | CES2CES1ALDH1A1MMP8MMP1 | |
| Cyclohexylamine SCHEMBL578785 | 1.00 | CES2 (0.43) | CES2CES1ALDH1A1MMP8MMP1 | |
| Cyclohexylamine SCHEMBL974340 | 1.00 | CES2 (0.43) | CES2CES1ALDH1A1MMP8MMP1 | |
| Cyclopentanamine SCHEMBL578697 | 0.97 | THRB (0.39) | CES2CES1ALDH1A1MMP8MMP1 | |
| Cyclohexylamine SCHEMBL27712727 | 0.94 | ALDH1A1 (0.39) | CES2CES1ALDH1A1MMP8MMP1 | |
| Cyclohexylamine SCHEMBL669342 | 0.91 | CES2 (0.41) | CES2CES1ALDH1A1MMP8MMP1 | |
| Cyclohexylamine SCHEMBL27724093 | 0.91 | CES2 (0.41) | CES2CES1ALDH1A1MMP8MMP1 | |
| Cyclohexylamine SCHEMBL11585174 | 0.91 | EPHX1 (0.44) | CES2CES1ALDH1A1MMP8MMP1 | |
| Cyclohexylamine SCHEMBL974731 | 0.91 | EPHX1 (0.44) | CES2CES1ALDH1A1MMP8MMP1 | |
| Cyclohexylamine SCHEMBL28119655 | 0.91 | EPHX1 (0.44) | CES2CES1ALDH1A1MMP8MMP1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1765408-B1 | POLYPEPTIDE PROTRACTING TAGS COMPRISING A TETRAZOLE MOIETY | NOVO NORDISK AS (DK) | 2015-12-09 | — | — | EP | claimed |
| EP-2289560-B1 | POLYPEPTIDE PROTRACTING TAGS COMPRISING A TETRAZOLE MOIETY | NOVO NORDISK AS (DK) | 2015-04-22 | — | — | EP | claimed |
| EP-0606881-B1 | Cyclic pentapeptides having a beta-turn and a gamma-turn | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1999-05-12 | — | — | EP | claimed |
| US-8586638-B2 | Parakeratosis inhibitor and skin preparation for external use | SHISEIDO COMPANY, LTD (JP) | 2013-11-19 | — | — | US | disclosed |
| US-20120253064-A1 | PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE | SHISEIDO COMPANY, LTD. (JP) | 2012-10-04 | — | — | US | disclosed |
| EP-2491980-A2 | Parakeratosis inhibitor and skin preparation for external use | SHISEIDO COMPANY LIMITED (JP) | 2012-08-29 | — | — | EP | disclosed |
| EP-2491981-A2 | Parakeratosis inhibitor and external composition for skin | SHISEIDO COMPANY LIMITED (JP) | 2012-08-29 | — | — | EP | disclosed |
| US-20120053243-A1 | PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE | SHISEIDO COMPANY, LTD. (JP) | 2012-03-01 | — | — | US | disclosed |
| EP-1902037-B1 | 2,4-DIAMINO-PYRIMIDINES USED AS AURORA INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2009-09-02 | — | — | EP | disclosed |
| EP-1902037-A1 | 2,4-DIAMINO-PYRIMIDINES USED AS AURORA INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2008-03-26 | — | — | EP | disclosed |
| US-20070225380-A1 | Parakeratosis Inhibitor and Skin Preparation for External use | SHISEIDO COMPANY LTD. (JP) | 2007-09-27 | — | — | US | disclosed |
| WO-2007003596-A1 | 2,4-DIAMINO-PYRIMIDINES USED AS AURORA INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-01-11 | — | — | WO | disclosed |
| EP-1688126-A1 | PARAKERATOSIS INHIBITOR AND EXTERNAL COMPOSITION FOR SKIN | SHISEIDO COMPANY LIMITED (JP) | 2006-08-09 | — | — | EP | disclosed |
| EP-0640618-B1 | Tetrahydronaphthalene-peptide derivatives | HOFFMANN LA ROCHE (CH) | 1999-10-20 | — | — | EP | disclosed |
| EP-0729972-A1 | Peptide derivatives of tetrahydronaphthalene | F. HOFFMANN-LA ROCHE AG (CH) | 1996-09-04 | — | — | EP | disclosed |
| EP-0640618-A1 | Tetrahydronaphthalene-peptide derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1995-03-01 | — | — | EP | disclosed |
| EP-0592791-A2 | Tricyclic compounds and peptide derivatives thereof | F. HOFFMANN-LA ROCHE AG (CH) | 1994-04-20 | — | — | EP | disclosed |
| EP-0068373-A1 | Schiff bases of aminocycloalcanecarboxylic esters, preparation thereof and use thereof as intermediate products | BASF Aktiengesellschaft (DE) | 1983-01-05 | — | — | EP | 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-20120053243-A1 | PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE | CUTA, HPN, DNPEP | CES2 4196/4885CES1 3419/4885ALDH1A1 3008/4885 |
| US-20120253064-A1 | PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE | CUTA, HPN, PRSS1 | CES2 4452/4885CES1 3552/4885ALDH1A1 3879/4885 |
| US-20070225380-A1 | Parakeratosis Inhibitor and Skin Preparation for External use | CUTA, HPN, DNPEP | CES2 4196/4885CES1 3419/4885ALDH1A1 3008/4885 |
“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.