SCHEMBL4432950

SCHEMBL4432950

O[C@@H](CBr)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.52
KDM4E B2RXH2 2/20 0.46
IGF1R P08069 2/20 0.42
PTPN1 P18031 1/20 0.40
HTT P42858 1/20 0.40
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HTR1A P08908 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL16337268 1.00 AOC3 (0.52) AOC3KDM4EIGF1RPTPN1HTT
SCHEMBL6283399 1.00 AOC3 (0.52) AOC3KDM4EIGF1RPTPN1HTT
SCHEMBL21353904 0.81 AOC3 (0.44) AOC3KDM4EIGF1RPTPN1HTT
SCHEMBL21353903 0.81 AOC3 (0.44) AOC3KDM4EIGF1RPTPN1HTT
SCHEMBL21393419 0.80 AOC3 (0.47) AOC3KDM4ESLC6A4SLC6A3MEN1
SCHEMBL21363635 0.80 AOC3 (0.47) AOC3KDM4EIGF1RHTTSLC6A4
SCHEMBL1155019 0.78 AOC3 (0.53) AOC3KDM4EIGF1RHTTGABBR2
SCHEMBL6481591 0.78 AOC3 (0.53) AOC3KDM4EIGF1RHTTGABBR2
SCHEMBL16340559 0.78 AOC3 (0.53) AOC3KDM4EIGF1RHTTGABBR2
SCHEMBL83311 0.78 HTR2A (0.45) IGF1RSLC6A4SLC6A3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926269-B2 Beta-lactam cholesterol absorption inhibitors RUDJER BOSKOVIC INSTITUTE (HR) 2018-03-27 US disclosed
US-9926269-B2 Beta-lactam cholesterol absorption inhibitors RUDJER BOSKOVIC INSTITUTE (HR) 2018-03-27 US disclosed
US-9926269-B2 Beta-lactam cholesterol absorption inhibitors RUDJER BOSKOVIC INSTITUTE (HR) 2018-03-27 US disclosed
US-20160355473-A1 BETA-LACTAM CHOLESTEROL ABSORPTION INHIBITORS RUDJER BOSKOVIC INSTITUTE (HR) 2016-12-08 US disclosed
US-20160355473-A1 BETA-LACTAM CHOLESTEROL ABSORPTION INHIBITORS RUDJER BOSKOVIC INSTITUTE (HR) 2016-12-08 US disclosed
US-20160355473-A1 BETA-LACTAM CHOLESTEROL ABSORPTION INHIBITORS RUDJER BOSKOVIC INSTITUTE (HR) 2016-12-08 US disclosed
WO-2015092448-A1 BETA-LACTAM CHOLESTEROL ABSORPTION INHIBITORS RUDJER BOSKOVIC INSTITUTE (HR) 2015-06-25 WO disclosed
US-8623873-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2014-01-07 US disclosed
US-8623873-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2014-01-07 US disclosed
EP-2548874-A2 Substituted piperazines as CB1 antagonists Intervet International B.V. (NL) 2013-01-23 EP disclosed
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2009-04-23 US disclosed
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2009-04-23 US disclosed
WO-2009005646-A2 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2009-01-08 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-20160355473-A1 BETA-LACTAM CHOLESTEROL ABSORPTION INHIBITORS PCSK9, CETP, NPC1L1 AOC3 4295/4885KDM4E 4020/4885IGF1R 1530/4885
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 AOC3 3370/4885KDM4E 2473/4885IGF1R 1601/4885

“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.