SCHEMBL2808245

SCHEMBL2808245

OCC1(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.58
LMNA P02545 3/20 0.58
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
POLB P06746 4/20 0.53
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
ALDH1A1 P00352 5/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL4896945 0.91 GAA (0.52) GAALMNAMEN1KMT2APOLB
SCHEMBL4904341 0.91 GAA (0.52) GAALMNAMEN1KMT2APOLB
SCHEMBL4896837 0.90 GAA (0.51) GAALMNAMEN1KMT2APOLB
SCHEMBL1220833 0.86 GAA (0.48) GAALMNAMEN1KMT2APOLB
SCHEMBL1667749 0.86 GAA (0.48) GAALMNAMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL28686967 0.85 GAA (0.47) GAALMNAMEN1KMT2APOLB
SCHEMBL16838122 0.83 MEN1 (0.58) GAALMNAMEN1KMT2APOLB
SCHEMBL19157212 0.83 GAA (0.56) GAALMNAMEN1KMT2APOLB
SCHEMBL5995214 0.82 POLB (0.77) GAALMNAMEN1KMT2APOLB
Ethylene SCHEMBL11700594 0.82 GAA (0.45) GAALMNAMEN1KMT2APOLB

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 9 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
CN-1906163-A 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2007-01-31 CN 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 GAA 134/4885LMNA 1346/4885MEN1 1916/4885
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE GAA 111/4885LMNA 1618/4885MEN1 2387/4885
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors REN, AGTR1, ACE GAA 111/4885LMNA 1618/4885MEN1 2387/4885

“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.