SCHEMBL633843

SCHEMBL633843

CC(C)CC(C(=O)c1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GPR139 Q6DWJ6 2/20 0.50
ATM Q13315 1/20 0.50
SLC6A2 P23975 5/20 0.49
SLC6A3 Q01959 4/20 0.49
CHRNA1 P02708 2/20 0.49
CHRNG P07510 2/20 0.49
CHRNB1 P11230 2/20 0.49
CHRNB2 P17787 2/20 0.49
CHRNB4 P30926 2/20 0.49
SLC6A4 P31645 2/20 0.49
CHRNA3 P32297 2/20 0.49
CHRNA4 P43681 2/20 0.49
CHRND Q07001 2/20 0.49
ITGA5 P08648 1/20 0.49
CYP2C19 P33261 1/20 0.49
HRH1 P35367 1/20 0.49
CHRNA7 P36544 1/20 0.49
OPRK1 P41145 1/20 0.49

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
SCHEMBL633842 0.91 MEN1 (0.58) MEN1KMT2AGPR139ATMSLC6A2
SCHEMBL1801672 0.85 LMNA (0.56) ATMHRH1KCNH2ALDH1A1SMN1; SMN2
SCHEMBL634333 0.81 SLC6A2 (0.45) MEN1KMT2AGPR139ATMSLC6A2
SCHEMBL29589450 0.77 SLC6A2 (0.58) MEN1KMT2AGPR139ATMSLC6A2
SCHEMBL634173 0.76 SLC6A2 (0.52) MEN1KMT2AGPR139ATMSLC6A2
SCHEMBL1093383 0.75 SLC6A2 (0.56) MEN1KMT2AGPR139ATMSLC6A2
SCHEMBL29018403 0.75 CYP2B6 (0.58) MEN1KMT2AGPR139ATMSLC6A2
SCHEMBL20809637 0.75 SLC6A2 (0.56) MEN1KMT2AGPR139ATMSLC6A2
SCHEMBL30471336 0.75 CYP2B6 (0.58) MEN1KMT2AGPR139ATMSLC6A2
SCHEMBL13151517 0.75 SLC6A2 (0.68) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1

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 MEN1 3444/4885KMT2A 1496/4885GPR139 616/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 MEN1 3444/4885KMT2A 1496/4885GPR139 616/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 MEN1 3444/4885KMT2A 1496/4885GPR139 616/4885

“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.