SCHEMBL1070516

SCHEMBL1070516

CCOC(=O)C1CN(C(=O)OC(C)(C)C)CCC1c1ccn(C)c(=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.44
PDE4B Q07343 5/20 0.43
SLC18A2 Q05940 9/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
SLC6A3 Q01959 4/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HTR2A P28223 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 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
SCHEMBL1070514 1.00 TACR1 (0.44) TACR1PDE4BSLC18A2PDE4APDE4C
SCHEMBL1518302 0.92 SLC18A2 (0.44) TACR1PDE4BSLC18A2PDE4APDE4C
SCHEMBL1518657 0.90 TACR1 (0.45) TACR1PDE4BSLC18A2PDE4APDE4C
SCHEMBL1518658 0.90 TACR1 (0.45) TACR1PDE4BSLC18A2PDE4APDE4C
SCHEMBL1071462 0.87 PDE4B (0.48) TACR1PDE4BKDM4EMAPTTHRB
SCHEMBL1071459 0.87 PDE4B (0.48) TACR1PDE4BKDM4EMAPTTHRB
SCHEMBL13625518 0.87 PDE4B (0.48) TACR1PDE4BKDM4EMAPTTHRB
SCHEMBL1071461 0.87 PDE4B (0.48) TACR1PDE4BKDM4EMAPTTHRB
SCHEMBL1518501 0.87 PDE4B (0.48) TACR1PDE4BKDM4EMAPTTHRB
SCHEMBL13626045 0.85 SLC18A2 (0.44) PDE4BSLC18A2PDE4APDE4CPDE4D

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
EP-2274295-B1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2015-08-05 EP disclosed
US-8889714-B2 3,4-substituted piperidine derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-18 US disclosed
US-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS IDORSIA PHARMACEUTICALS LTD (CH) 2011-03-03 US disclosed
EP-2274295-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2011-01-19 EP disclosed
WO-2009135299-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-11-12 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-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS REN, ACE, ACE2 TACR1 188/4885PDE4B 168/4885SLC18A2 2728/4885

“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.