SCHEMBL2809385

SCHEMBL2809385

CC(C)(C)OC(=O)N1CC[C@H](c2cccc(-c3cccc(O)c3)c2)[C@@H](OCc2ccc3ccccc3c2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
ABL2 P42684 1/20 0.41
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
REN P00797 3/20 0.40
PRMT5 O14744 3/20 0.40
USP30 Q70CQ3 4/20 0.40
YAP1 P46937 3/20 0.39
CHRM3 P20309 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37

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
SCHEMBL2809383 1.00 TACR1 (0.41) TACR1ABL1EGFRSRCABL2
SCHEMBL2807737 0.95 BACE1 (0.45) TACR1BACE1BACE2RENPRMT5
SCHEMBL2807739 0.95 BACE1 (0.45) TACR1BACE1BACE2RENPRMT5
SCHEMBL2812012 0.91 AXL (0.44) TACR1BACE1BACE2RENPRMT5
SCHEMBL5488065 0.91 AXL (0.44) TACR1BACE1BACE2RENPRMT5
SCHEMBL2810071 0.91 USP30 (0.47) TACR1BACE1BACE2RENPRMT5
SCHEMBL2812015 0.91 AXL (0.44) TACR1BACE1BACE2RENPRMT5
SCHEMBL2810072 0.91 USP30 (0.47) TACR1BACE1BACE2RENPRMT5
SCHEMBL2814916 0.88 USP30 (0.43) TACR1BACE1BACE2RENPRMT5
SCHEMBL2814919 0.88 USP30 (0.43) TACR1BACE1BACE2RENPRMT5

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-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

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 TACR1 283/4885ABL1 3554/4885EGFR 553/4885
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE TACR1 289/4885ABL1 3623/4885EGFR 555/4885
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors REN, AGTR1, ACE TACR1 289/4885ABL1 3623/4885EGFR 555/4885

“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.