SCHEMBL4290504

SCHEMBL4290504

CCCCC(O)C1CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.41
CPB2 Q96IY4 1/20 0.41
SIGMAR1 Q99720 1/20 0.37
DPP7 Q9UHL4 1/20 0.35
NOS2 P35228 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL4290481 1.00 CPN1 (0.41) CPN1CPB2SIGMAR1DPP7NOS2
SCHEMBL9341469 0.95 SIGMAR1 (0.39) CPN1CPB2SIGMAR1GAA
SCHEMBL10608121 0.95 CPN1 (0.41) CPN1CPB2GAA
SCHEMBL10608177 0.89 CPN1 (0.44) CPN1CPB2NOS2
SCHEMBL23709494 0.82 CPN1 (0.40) CPN1CPB2SIGMAR1DPP7
SCHEMBL557956 0.82 CPN1 (0.40) CPN1CPB2SIGMAR1DPP7
SCHEMBL3937383 0.82 CPN1 (0.46) CPN1CPB2NOS2
SCHEMBL9540250 0.81 GAA (0.40) GAA
SCHEMBL3567805 0.81 CPN1 (0.38) CPN1CPB2NOS2
SCHEMBL28035328 0.81 CPN1 (0.42) CPN1CPB2SIGMAR1DPP7

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 EP claimed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 WO claimed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
EP-0600955-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-06-15 EP disclosed
WO-1993003725-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-03-04 WO disclosed
EP-0174565-B1 PIPERIDINE DERIVATIVES AND FUNGICIDAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR COMBATING FUNGI BASF Aktiengesellschaft (DE) 1989-10-25 EP disclosed
US-4673683-A Fungicidal piperidine derivatives BASF AKTIENGESELLSCHAFT (DE) 1987-06-16 US disclosed
EP-0174565-A2 Piperidine derivatives and fungicidal compositions containing them, and process for combating fungi BASF Aktiengesellschaft (DE) 1986-03-19 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 (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-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 CPN1 63/4885CPB2 31/4885SIGMAR1 4124/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 CPN1 55/4885CPB2 31/4885SIGMAR1 4481/4885

“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.