SCHEMBL2810447

SCHEMBL2810447

COCC=Cc1cc(Br)ccc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 4/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TNFRSF1A P19438 1/20 0.32
NPC1 O15118 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL2810445 1.00 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C19NPSR1MAPT
SCHEMBL2808235 0.83 HPGD (0.34) CYP1A2CYP3A4CYP2C19NPSR1MAPT
SCHEMBL2808237 0.83 HPGD (0.34) CYP1A2CYP3A4CYP2C19NPSR1MAPT
SCHEMBL23888923 0.78 CYP1A1 (0.37) CYP1A2MAPTLMNAALDH1A1L3MBTL1
SCHEMBL31422452 0.77 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C19NPSR1MAPT
Hydrochloric Acid SCHEMBL31477398 0.75 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C19NPSR1MAPT
SCHEMBL20243777 0.74 TSHR (0.43) CYP1A2CYP2C19LMNAKDM4EALDH1A1
SCHEMBL13479506 0.74 ERN1 (0.36) CYP1A2CYP3A4CYP2C19NPSR1MAPT
SCHEMBL18260255 0.74 PRKDC (0.35) LMNAAKT1
SCHEMBL18260257 0.74 PRKDC (0.35) LMNAAKT1

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 CYP1A2 296/4885CYP3A4 383/4885CYP2C19 162/4885
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE CYP1A2 352/4885CYP3A4 396/4885CYP2C19 205/4885
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors REN, AGTR1, ACE CYP1A2 352/4885CYP3A4 396/4885CYP2C19 205/4885

“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.