SCHEMBL2807247

SCHEMBL2807247

COCC/C=C/c1cccc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.45
CHRNA7 P36544 1/20 0.44
SLC6A19 Q695T7 1/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BACE1 P56817 2/20 0.40
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
XDH P47989 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
SCHEMBL2807250 1.00 HSD17B3 (0.45) HSD17B3CHRNA7SLC6A19ALDH1A1PKM
SCHEMBL2811422 0.83 SLC6A19 (0.49) HSD17B3CHRNA7SLC6A19ALDH1A1PKM
SCHEMBL2811420 0.83 SLC6A19 (0.49) HSD17B3CHRNA7SLC6A19ALDH1A1PKM
SCHEMBL7989611 0.81 RELA (0.51) ALDH1A1MEN1KMT2ABACE1MAOA
SCHEMBL29102004 0.80 HSD17B3 (0.53) HSD17B3SLC6A19ALDH1A1PKMMEN1
SCHEMBL9442301 0.80 CHRNA7 (0.50) HSD17B3CHRNA7ALDH1A1PKMMAOA
SCHEMBL9442207 0.80 CHRNA7 (0.50) HSD17B3CHRNA7ALDH1A1PKMMAOA
SCHEMBL16685853 0.79 TUBB4A (0.43) CHRNA7ALDH1A1MEN1KMT2AMAOA
SCHEMBL16685855 0.79 TUBB4A (0.43) CHRNA7ALDH1A1MEN1KMT2AMAOA
SCHEMBL15907605 0.78 MEN1 (0.61) ALDH1A1MEN1KMT2ANPC1RAB9A

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 HSD17B3 80/4885CHRNA7 580/4885SLC6A19 771/4885
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE HSD17B3 113/4885CHRNA7 611/4885SLC6A19 957/4885
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors REN, AGTR1, ACE HSD17B3 113/4885CHRNA7 611/4885SLC6A19 957/4885

“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.