SCHEMBL2124257

SCHEMBL2124257

CCC1(C(=O)O)CCCCC1N

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.31

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
SCHEMBL5321582 1.00 CYP2C19 (0.31) CYP2C19
SCHEMBL11611121 1.00 CYP2C19 (0.31) CYP2C19
SCHEMBL5322364 0.98 CYP2C19 (0.33) CYP2C19
Hydrochloric Acid SCHEMBL4260557 0.98 MEN1 (0.31)
SCHEMBL6680402 0.94 CYP1A2 (0.33)
SCHEMBL6215052 0.94 CYP1A2 (0.33)
SCHEMBL3865460 0.94 CYP1A2 (0.33)
Hydrochloric Acid SCHEMBL5898246 0.93 CYP1A2 (0.33)
Hydrochloric Acid SCHEMBL6218699 0.93 CYP1A2 (0.33)
Hydrochloric Acid SCHEMBL4235768 0.93 CYP1A2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3427738-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2021-12-01 EP disclosed
US-10874673-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-29 US disclosed
CN-104922128-B Inhibitors of influenza virus replication 沃泰克斯药物股份有限公司 2019-12-20 CN disclosed
CN-110540538-A Inhibitors of influenza virus replication VERTEX PHARMA 2019-12-06 CN disclosed
US-20190151314-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2019-05-23 US disclosed
EP-3427738-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2019-01-16 EP disclosed
CN-104940202-B Inhibitors of influenza viruses replication 沃泰克斯药物股份有限公司 2018-10-16 CN disclosed
US-10039762-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-08-07 US disclosed
EP-3141252-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2018-07-25 EP disclosed
US-20180078553-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2018-03-22 US disclosed
US-20120171245-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-05 US disclosed
CN-102458408-A Inhibitors of influenza virus replication VERTEX PHARMA 2012-05-16 CN disclosed
EP-2442809-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2012-04-25 EP disclosed
WO-2010148197-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-23 WO disclosed
EP-1833782-B1 CYCLOALKYLAMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-04-08 EP disclosed
US-7411093-B2 Aminocycloalkanes as DPP-IV inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-08-12 US disclosed
EP-1833782-A1 CYCLOALKYLAMINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-19 EP disclosed
WO-2006066770-A1 CYCLOALKYLAMINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
US-20060135512-A1 Aminocycloalkanes as DPP-IV inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-06-22 US disclosed
US-4113868-A 5,6-DIHYDROPYRIMIDIN-4(3H)ONE DERIVATIVES, AND ANTIEDEMA COMPOSITIONS AND METHODS EMPLOYING THEM CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1978-09-12 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 (6 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-20060135512-A1 Aminocycloalkanes as DPP-IV inhibitors DPP4, DPP7, DPP3 CYP2C19 294/4885
US-20180078553-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 CYP2C19 513/4885
US-20190151314-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 CYP2C19 513/4885
US-10874673-B2 Inhibitors of influenza viruses replication ACE, IRF3, ACE2 CYP2C19 513/4885
US-20120171245-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 CYP2C19 513/4885
US-10039762-B2 Inhibitors of influenza viruses replication ACE, IRF3, ACE2 CYP2C19 513/4885

“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.