SCHEMBL3615232

SCHEMBL3615232

Cc1ccc(F)cc1C(OCCN)C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.45
GPR119 Q8TDV5 5/20 0.43
DPP4 P27487 1/20 0.41
SCN9A Q15858 1/20 0.40
BRD3 Q15059 1/20 0.39
TRPV3 Q8NET8 1/20 0.39
KAT7 O95251 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL3615228 1.00 REN (0.45) RENGPR119DPP4SCN9ABRD3
SCHEMBL3615227 1.00 REN (0.45) RENGPR119DPP4SCN9ABRD3
SCHEMBL2327251 0.89 REN (0.44) RENTRPV3USP30
SCHEMBL2327246 0.89 REN (0.44) RENTRPV3USP30
SCHEMBL2327255 0.89 REN (0.44) RENTRPV3USP30
SCHEMBL2331395 0.87 REN (0.58) RENGPR119
SCHEMBL2331386 0.87 REN (0.58) RENGPR119
SCHEMBL2331394 0.87 REN (0.58) RENGPR119
SCHEMBL3609953 0.87 MEN1 (0.44) RENGPR119DPP4SCN9ABRD3
SCHEMBL9914201 0.87 GPR119 (0.43) RENGPR119DPP4SCN9ABRD3

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 12 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
EP-2074108-B3 RENIN INHIBITORS VITAE PHARMACEUTICALS INC (US) 2013-06-26 EP disclosed
EP-2581366-A1 Renin Inhibitors Vitae Pharmaceuticals, Inc. (US) 2013-04-17 EP disclosed
EP-2074108-B1 RENIN INHIBITORS VITAE PHARMACEUTICALS INC (US) 2012-11-21 EP 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
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 EP 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
EP-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 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 (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 REN 180/4885GPR119 3138/4885DPP4 22/4885
US-20120225906-A1 PIPERIDINE RENIN INHIBITORS ACE, PEPD, DNPEP REN 4/4885GPR119 2084/4885DPP4 14/4885
US-20090312369-A1 Renin Inhibitors ACE, REN, DNPEP REN 2/4885GPR119 1394/4885DPP4 24/4885

“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.