SCHEMBL3612802

SCHEMBL3612802

Cc1ccc(F)cc1[C@H](O)C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.44
USP30 Q70CQ3 3/20 0.43
BRD3 Q15059 2/20 0.42
KAT7 O95251 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
PDE4B Q07343 1/20 0.40
TRPV3 Q8NET8 1/20 0.40
MMP13 P45452 1/20 0.39
DPP4 P27487 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL3611284 1.00 GPR119 (0.44) GPR119USP30BRD3KAT7KAT8
SCHEMBL3612805 1.00 GPR119 (0.44) GPR119USP30BRD3KAT7KAT8
SCHEMBL2327226 0.88 CNR1 (0.46) USP30MEN1KMT2APDE4BPRMT5
SCHEMBL2327230 0.88 CNR1 (0.46) USP30MEN1KMT2APDE4BPRMT5
SCHEMBL2327223 0.88 CNR1 (0.46) USP30MEN1KMT2APDE4BPRMT5
SCHEMBL5705764 0.84 ALDH1A1 (0.46) GPR119USP30MEN1KMT2AHDAC1
SCHEMBL3615232 0.83 REN (0.45) GPR119USP30BRD3KAT7KAT8
SCHEMBL3615228 0.83 REN (0.45) GPR119USP30BRD3KAT7KAT8
SCHEMBL3615227 0.83 REN (0.45) GPR119USP30BRD3KAT7KAT8
SCHEMBL3609953 0.82 MEN1 (0.44) GPR119USP30BRD3KAT7KAT8

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 GPR119 3138/4885USP30 553/4885BRD3 3954/4885
US-20120225906-A1 PIPERIDINE RENIN INHIBITORS ACE, PEPD, DNPEP GPR119 2084/4885USP30 528/4885BRD3 2809/4885
US-20090312369-A1 Renin Inhibitors ACE, REN, DNPEP GPR119 1394/4885USP30 899/4885BRD3 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.