SCHEMBL3564204

SCHEMBL3564204

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

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.68
METAP2 P50579 1/20 0.62
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRM1 Q13255 1/20 0.45
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
NAAA Q02083 1/20 0.40
BCHE P06276 1/20 0.40
EPHX1 P07099 6/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL27835100 0.95 METAP2 (0.70) RENMETAP2CHRNB2CHRNB4CHRNA3
SCHEMBL7441065 0.87 REN (0.69) RENMETAP2CHRNB2CHRNB4CHRNA3
SCHEMBL5593651 0.82 REN (0.50) RENMETAP2CHRNB2CHRNB4CHRNA3
SCHEMBL7270757 0.81 REN (0.51) RENMETAP2EPHX1
SCHEMBL7270755 0.81 REN (0.51) RENMETAP2EPHX1
SCHEMBL14420370 0.81 REN (1.00) RENMETAP2BCHE
SCHEMBL3564246 0.81 REN (0.49) RENMETAP2CHRNB2CHRNB4CHRNA3
SCHEMBL3564248 0.81 REN (0.49) RENMETAP2CHRNB2CHRNB4CHRNA3
SCHEMBL9684341 0.81 REN (1.00) RENMETAP2BCHE
SCHEMBL14415351 0.81 REN (1.00) RENMETAP2BCHE

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 5 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-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
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
WO-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO 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.