SCHEMBL3567805

SCHEMBL3567805

COCCCCC(O)[C@@H]1CCCNC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
REN P00797 3/20 0.35
MAPK1 P28482 1/20 0.34
OPRK1 P41145 1/20 0.34
NOS2 P35228 1/20 0.31
LMNA P02545 1/20 0.31
EPHX2 P34913 1/20 0.31
HTR2A P28223 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10608121 0.83 CPN1 (0.41) CPN1CPB2
SCHEMBL4290504 0.81 CPN1 (0.41) CPN1CPB2NOS2
SCHEMBL4290481 0.81 CPN1 (0.41) CPN1CPB2NOS2
SCHEMBL10608177 0.77 CPN1 (0.44) CPN1CPB2NOS2LMNASMN1; SMN2
SCHEMBL9341469 0.76 SIGMAR1 (0.39) CPN1CPB2
SCHEMBL28733804 0.75 TP53 (0.45) LMNAEPHX2SMN1; SMN2
SCHEMBL28733911 0.75 TP53 (0.45) LMNAEPHX2SMN1; SMN2
SCHEMBL5612541 0.73 REN (0.36) RENMAPK1OPRK1HTR2A
SCHEMBL3937383 0.73 CPN1 (0.46) CPN1CPB2NOS2LMNASMN1; SMN2
SCHEMBL968621 0.73 CPN1 (0.35) CPN1CPB2REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858624-B2 Piperidine and morpholine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
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
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 CPN1 63/4885CPB2 31/4885REN 1/4885
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors REN, ACE, PREP CPN1 252/4885CPB2 96/4885REN 1/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 CPN1 55/4885CPB2 31/4885REN 1/4885

“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.