SCHEMBL3564248

SCHEMBL3564248

CCCCNC(=O)C[C@@H](O)[C@H](CC1CCCCC1)NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.49
METAP2 P50579 1/20 0.46
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRM1 Q13255 1/20 0.43

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
SCHEMBL3564246 1.00 REN (0.49) RENMETAP2CHRNB2CHRNB4CHRNA3
SCHEMBL12991841 0.84 REN (0.49) REN
SCHEMBL8826775 0.82 REN (0.70) RENMETAP2
SCHEMBL3564204 0.81 REN (0.68) RENMETAP2CHRNB2CHRNB4CHRNA3
SCHEMBL12991516 0.80 REN (0.42) RENMETAP2CHRNB2CHRNB4CHRNA3
SCHEMBL12990972 0.80 REN (0.42) RENMETAP2CHRNB2CHRNB4CHRNA3
SCHEMBL3565755 0.79 REN (0.39) RENMETAP2CHRNB2CHRNB4CHRNA3
SCHEMBL3565758 0.79 REN (0.39) RENMETAP2CHRNB2CHRNB4CHRNA3
SCHEMBL7268424 0.77 REN (0.41) RENMETAP2
SCHEMBL27835100 0.77 METAP2 (0.70) RENMETAP2CHRNB2CHRNB4CHRNA3

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 2 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-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 (1 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-20090264432-A1 Piperidine and Morpholine Renin Inhibitors REN, ACE, PREP REN 1/4885METAP2 35/4885CHRNB2 3491/4885

“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.