SCHEMBL664893

SCHEMBL664893

O=C(O)N(Cc1cc(Br)ccc1Cl)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
SLC6A2 P23975 10/20 0.39
SLC6A4 P31645 10/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 2/20 0.38
SLC6A3 Q01959 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TACR1 P25103 2/20 0.38
KCNH2 Q12809 2/20 0.38
REN P00797 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTT P42858 1/20 0.37
AGER Q15109 1/20 0.36

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
SCHEMBL663581 0.84 SLC6A4 (0.44) SLC6A2SLC6A4CYP2D6SLC6A3KCNH2
SCHEMBL663586 0.80 REN (0.43) MEN1KMT2ASLC6A2SLC6A4ALDH1A1
SCHEMBL4682630 0.79 REN (0.46) MEN1KMT2ATACR1KCNH2REN
SCHEMBL4682640 0.79 SLC6A2 (0.40) MEN1KMT2ASLC6A2SLC6A4ALDH1A1
SCHEMBL18586056 0.78 MEN1 (0.50) MEN1KMT2AUBE2MDCUN1D1SLC6A2
SCHEMBL662616 0.77 PSMB5 (0.39) MEN1KMT2ASLC6A2SLC6A4CYP2D6
SCHEMBL4681157 0.75 REN (0.51) MEN1KMT2AKCNH2RENCYP3A4
SCHEMBL4685435 0.75 LMNA (0.51) MEN1KMT2AALDH1A1LMNAREN
SCHEMBL661970 0.74 REN (0.56) KCNH2RENCYP3A4
SCHEMBL23093614 0.72 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3TACR1AGER

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
EP-1981847-A1 SECONDARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2008-10-22 EP disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 WO disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 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 (2 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 MEN1 3395/4885KMT2A 4587/4885UBE2M 1574/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT MEN1 3226/4885KMT2A 4576/4885UBE2M 2624/4885

“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.