SCHEMBL634022

SCHEMBL634022

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.66
KCNH2 Q12809 2/20 0.66
PGR P06401 1/20 0.66
ADRA2A P08913 1/20 0.66
ADRA2B P18089 1/20 0.66
HTR2A P28223 1/20 0.66
SLC6A2 P23975 5/20 0.56
SLC6A3 Q01959 4/20 0.56
CHRNA1 P02708 2/20 0.56
CHRNG P07510 2/20 0.56
CHRNB1 P11230 2/20 0.56
CHRNB2 P17787 2/20 0.56
CHRNB4 P30926 2/20 0.56
SLC6A4 P31645 2/20 0.56
CHRNA3 P32297 2/20 0.56
CHRNA4 P43681 2/20 0.56
CHRND Q07001 2/20 0.56
ITGA5 P08648 1/20 0.56
CYP2C19 P33261 1/20 0.56
CHRNA7 P36544 1/20 0.56

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
SCHEMBL769582 0.82 SLC6A2 (0.56) HRH1KCNH2SLC6A2SLC6A3CHRNA1
Hydrochloric Acid SCHEMBL5858783 0.81 SLC6A2 (0.57) HRH1KCNH2SLC6A2SLC6A3CHRNA1
Diethylpropion SCHEMBL15484 0.80 PGR (1.00) HRH1KCNH2PGRADRA2AADRA2B
Diethylpropion SCHEMBL27330 0.80 PGR (1.00) HRH1KCNH2PGRADRA2AADRA2B
SCHEMBL12671129 0.80 ALDH1A1 (0.59) HRH1KCNH2PGRADRA2AADRA2B
SCHEMBL1093383 0.79 SLC6A2 (0.56) HRH1KCNH2SLC6A2SLC6A3CHRNA1
SCHEMBL20809637 0.79 SLC6A2 (0.56) HRH1KCNH2SLC6A2SLC6A3CHRNA1
Diethylpropion SCHEMBL22614735 0.78 PGR (0.96) HRH1KCNH2PGRADRA2AADRA2B
Diethylpropion SCHEMBL7715371 0.78 PGR (0.96) HRH1KCNH2PGRADRA2AADRA2B
Diethylpropion SCHEMBL15483 0.78 PGR (0.96) HRH1KCNH2PGRADRA2AADRA2B

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-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

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 HRH1 1027/4885KCNH2 3126/4885PGR 468/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 HRH1 1027/4885KCNH2 3126/4885PGR 468/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 HRH1 1027/4885KCNH2 3126/4885PGR 468/4885

“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.