SCHEMBL9914201

SCHEMBL9914201

[C-]#[N+]CO[C@@H](c1cc(F)ccc1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.43
REN P00797 1/20 0.40
BRD3 Q15059 2/20 0.39
TRPV3 Q8NET8 1/20 0.39
KAT7 O95251 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
USP30 Q70CQ3 2/20 0.38
SCN9A Q15858 1/20 0.37
DPP4 P27487 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3615227 0.87 REN (0.45) GPR119RENBRD3TRPV3KAT7
SCHEMBL3615228 0.87 REN (0.45) GPR119RENBRD3TRPV3KAT7
SCHEMBL3615232 0.87 REN (0.45) GPR119RENBRD3TRPV3KAT7
SCHEMBL3609955 0.86 MEN1 (0.44) GPR119RENBRD3TRPV3KAT7
SCHEMBL3609953 0.86 MEN1 (0.44) GPR119RENBRD3TRPV3KAT7
SCHEMBL3609954 0.86 MEN1 (0.44) GPR119RENBRD3TRPV3KAT7
SCHEMBL2331395 0.83 REN (0.58) GPR119REN
SCHEMBL2331394 0.83 REN (0.58) GPR119REN
SCHEMBL2331386 0.83 REN (0.58) GPR119REN
SCHEMBL3612802 0.82 GPR119 (0.44) GPR119BRD3TRPV3KAT7KAT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580823-B2 Piperidine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-11-12 US disclosed
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
US-20120225906-A1 PIPERIDINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2012-09-06 US disclosed
US-8198453-B2 Piperidine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-06-12 US disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 US disclosed
US-20090312369-A1 Renin Inhibitors VITAE PHARMACEUTICALS , INC. 2009-12-17 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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 GPR119 3138/4885REN 180/4885BRD3 3954/4885
US-20120225906-A1 PIPERIDINE RENIN INHIBITORS ACE, PEPD, DNPEP GPR119 2084/4885REN 4/4885BRD3 2809/4885
US-20090312369-A1 Renin Inhibitors ACE, REN, DNPEP GPR119 1394/4885REN 2/4885BRD3 4395/4885

“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.