SCHEMBL2811599

SCHEMBL2811599

COCCCCc1cc(Br)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A4 P31645 2/20 0.40
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
HPGD P15428 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2810557 0.95 KDM4E (0.41) KDM4EKMT2ASLC6A4ALDH1A1MAPT
SCHEMBL15197151 0.87 KDM4E (0.38) KDM4EKMT2ASLC6A4ALDH1A1MAPT
SCHEMBL21175823 0.81 HPGD (0.46) KDM4EKMT2ASLC6A4ALDH1A1NPC1
SCHEMBL2934176 0.81 KDM4E (0.48) KDM4EKMT2AALDH1A1MAPTLMNA
SCHEMBL3469320 0.80 KDM4E (0.37) KDM4EKMT2ASLC6A4ALDH1A1MAPT
SCHEMBL2807581 0.80 KMT2A (0.33) KDM4EKMT2ASLC6A4ALDH1A1MAPT
SCHEMBL21985350 0.78 SKP2 (0.43) KMT2AALDH1A1MAPTNPC1LMNA
SCHEMBL17124808 0.78 TAAR1 (0.49) KDM4EKMT2AALDH1A1MAPTLMNA
SCHEMBL2812775 0.77 NAMPT (0.34) KMT2AMAPTTAAR1
SCHEMBL6849954 0.77 ALDH1A1 (0.35) KDM4EKMT2AALDH1A1MAPTNPC1

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 KDM4E 3162/4885KMT2A 4420/4885SLC6A4 666/4885
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE KDM4E 3091/4885KMT2A 4374/4885SLC6A4 797/4885
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors REN, AGTR1, ACE KDM4E 3091/4885KMT2A 4374/4885SLC6A4 797/4885

“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.