SCHEMBL634062

SCHEMBL634062

CC(Br)C(O)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.42
ADRB2 P07550 1/20 0.42
ADRB3 P13945 1/20 0.42
ACP3 P15309 1/20 0.42
MIF P14174 1/20 0.42
HTR2A P28223 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
AOC3 Q16853 1/20 0.41
SLC2A1 P11166 2/20 0.41
TSHR P16473 2/20 0.40
RECQL P46063 1/20 0.40
PNMT P11086 1/20 0.39
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
SLC6A3 Q01959 3/20 0.38
KCNH2 Q12809 1/20 0.38
ADRA1D P25100 1/20 0.38

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
SCHEMBL28951519 0.86 ACP3 (0.46) ADRB1ADRB2ADRB3ACP3MIF
SCHEMBL11221452 0.84 ACP3 (0.44) ADRB1ADRB2ADRB3ACP3AOC3
SCHEMBL29403128 0.83 ACP3 (0.50) ADRB1ADRB2ADRB3ACP3MIF
SCHEMBL11606577 0.83 ACP3 (0.50) ADRB1ADRB2ADRB3ACP3MIF
SCHEMBL31620156 0.81 ADRB1 (0.65) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL11462317 0.80 AOC3 (0.44) ADRB1ADRB2ADRB3ACP3HTR2B
SCHEMBL626360 0.79 PNMT (0.44) ADRB1ADRB2ADRB3ACP3AOC3
SCHEMBL343771 0.79 MEN1 (0.47) ADRB1ADRB2ADRB3ACP3AOC3
SCHEMBL819310 0.79 MEN1 (0.47) ADRB1ADRB2ADRB3ACP3AOC3
SCHEMBL15943135 0.79 MEN1 (0.47) ADRB1ADRB2ADRB3ACP3AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919841-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2021-02-16 US disclosed
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS RES TRIANGLE INST (US) 2018-08-02 US disclosed
US-9562001-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2017-02-07 US disclosed
US-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE 2012-03-22 US disclosed
EP-2419400-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2012-02-22 EP disclosed
WO-2010121022-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2010-10-21 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-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 ADRB1 55/4885ADRB2 65/4885ADRB3 46/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 ADRB1 55/4885ADRB2 65/4885ADRB3 46/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 ADRB1 55/4885ADRB2 65/4885ADRB3 46/4885

“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.