SCHEMBL2808237

SCHEMBL2808237

COCCC=Cc1cc(Br)ccc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.34
KDM4E B2RXH2 5/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 5/20 0.32
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
CCR5 P51681 2/20 0.31
TNFRSF1A P19438 1/20 0.31
NPC1 O15118 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL2808235 1.00 HPGD (0.34) HPGDKDM4EKMT2ACYP1A2CYP3A4
SCHEMBL2810447 0.83 CYP1A2 (0.35) HPGDKDM4EKMT2ACYP1A2CYP3A4
SCHEMBL2810445 0.83 CYP1A2 (0.35) HPGDKDM4EKMT2ACYP1A2CYP3A4
SCHEMBL2931694 0.83 MAPT (0.48) KDM4EKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL2931695 0.83 MAPT (0.48) KDM4EKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL21175786 0.83 HPGD (0.43) HPGDKDM4EKMT2ACYP1A2MAPT
SCHEMBL21175784 0.83 HPGD (0.43) HPGDKDM4EKMT2ACYP1A2MAPT
SCHEMBL16685855 0.74 TUBB4A (0.43) HPGDKDM4EKMT2ACYP3A4CYP2C19
SCHEMBL31422452 0.74 CYP1A2 (0.37) HPGDKDM4EKMT2ACYP1A2CYP3A4
SCHEMBL16685853 0.74 TUBB4A (0.43) HPGDKDM4EKMT2ACYP3A4CYP2C19

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 HPGD 230/4885KDM4E 3162/4885KMT2A 4420/4885
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE HPGD 232/4885KDM4E 3091/4885KMT2A 4374/4885
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors REN, AGTR1, ACE HPGD 232/4885KDM4E 3091/4885KMT2A 4374/4885

“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.