SCHEMBL2807737

SCHEMBL2807737

CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccccc3)c2)C(OCc2ccc3ccccc3c2)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.45
BACE2 Q9Y5Z0 1/20 0.45
USP30 Q70CQ3 7/20 0.45
TACR1 P25103 1/20 0.44
REN P00797 2/20 0.43
PRMT5 O14744 3/20 0.42
YAP1 P46937 3/20 0.42
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40

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
SCHEMBL2807739 1.00 BACE1 (0.45) BACE1BACE2USP30TACR1REN
SCHEMBL2809383 0.95 TACR1 (0.41) BACE1BACE2USP30TACR1REN
SCHEMBL2809385 0.95 TACR1 (0.41) BACE1BACE2USP30TACR1REN
SCHEMBL2810072 0.94 USP30 (0.47) BACE1BACE2USP30TACR1REN
SCHEMBL2810071 0.94 USP30 (0.47) BACE1BACE2USP30TACR1REN
SCHEMBL2812012 0.94 AXL (0.44) BACE1BACE2USP30TACR1REN
SCHEMBL5488065 0.94 AXL (0.44) BACE1BACE2USP30TACR1REN
SCHEMBL2812015 0.94 AXL (0.44) BACE1BACE2USP30TACR1REN
SCHEMBL2814916 0.91 USP30 (0.43) BACE1BACE2USP30TACR1REN
SCHEMBL2810600 0.91 REN (0.43) BACE1BACE2USP30TACR1REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362040-B2 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2013-01-29 US disclosed
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors NOVARTIS AG (CH) 2010-09-23 US disclosed
US-7754727-B2 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2010-07-13 US disclosed
EP-1689712-B1 4-PHENYLPIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP disclosed
US-20080269255-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors NOVARTIS AG (CH) 2008-10-30 US disclosed
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors SEDRANI RICHARD 2007-04-05 US disclosed
EP-1689712-A1 4-PHENYLPIPERIDINE DERIVATIVES AS RENIN INHIBITORS Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005051911-A1 4-PHENYLPIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2005-06-09 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-20080269255-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE BACE1 59/4885BACE2 127/4885USP30 3366/4885
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE BACE1 52/4885BACE2 112/4885USP30 3182/4885
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors REN, AGTR1, ACE BACE1 52/4885BACE2 112/4885USP30 3182/4885

“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.