SCHEMBL3752181

SCHEMBL3752181

CC(C)C(CBr)Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.53
BCHE P06276 9/20 0.52
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
PTGES O14684 1/20 0.46
MAOA P21397 1/20 0.46

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
SCHEMBL3752175 1.00 MAOB (0.53) MAOBBCHECYP4F2CYP4A11MEN1
SCHEMBL6044629 0.86 CYP4F2 (0.57) MAOBBCHECYP4F2CYP4A11MEN1
SCHEMBL6044633 0.86 CYP4F2 (0.57) MAOBBCHECYP4F2CYP4A11MEN1
SCHEMBL321092 0.82 MAOB (0.62) MAOBBCHECYP4F2CYP4A11MEN1
SCHEMBL30211131 0.80 TAAR1 (0.65) MAOBBCHECYP4F2CYP4A11KMT2A
SCHEMBL21583868 0.80 TAAR1 (0.65) MAOBBCHECYP4F2CYP4A11KMT2A
SCHEMBL2747423 0.80 TAAR1 (0.65) MAOBBCHECYP4F2CYP4A11KMT2A
SCHEMBL2747426 0.80 TAAR1 (0.65) MAOBBCHECYP4F2CYP4A11KMT2A
SCHEMBL25480447 0.79 MAOB (0.63) MAOBBCHECYP4F2CYP4A11MEN1
SCHEMBL17386027 0.79 CYP4F2 (0.59) MAOBBCHECYP4F2CYP4A11MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298328-A1 1-Heterocyclylamino-2-Hydroxy-3-Amino-Omega-Arylalkanes VITAE PHARMACEUTICALS, INC 2010-11-25 US disclosed
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2008-11-27 US disclosed
WO-2007123718-A1 1-HETEROCYCLYLAMINO-2-HYDROXY-3-AMINO-ω-ARYLALKANES VITAE PHARMACEUTICALS, INC. (US) 2007-11-01 WO disclosed
EP-1844002-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-10-17 EP disclosed
WO-2006083924-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-08-10 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-20100298328-A1 1-Heterocyclylamino-2-Hydroxy-3-Amino-Omega-Arylalkanes REN, AGTR1, AGTR2 MAOB 492/4885BCHE 1653/4885CYP4F2 246/4885
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors REN, AGTR1, AGTR2 MAOB 863/4885BCHE 2008/4885CYP4F2 235/4885

“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.