SCHEMBL871604

SCHEMBL871604

CC(C)CC(NCCO[12C](=O)C(C)C)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 0.64
SLC6A4 P31645 18/20 0.64
SLC6A3 Q01959 18/20 0.64
CYP3A4 P08684 2/20 0.48
ALOX15 P16050 2/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HTR2A P28223 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 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
SCHEMBL872717 0.89 SLC6A2 (0.80) SLC6A2SLC6A4SLC6A3CYP3A4ALOX15
SCHEMBL871962 0.88 SLC6A2 (0.81) SLC6A2SLC6A4SLC6A3
SCHEMBL871438 0.87 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP3A4ALOX15
SCHEMBL28781360 0.86 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3CYP3A4ALOX15
Maleic Acid SCHEMBL10839577 0.83 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CYP3A4ALOX15
Fumaric Acid SCHEMBL10839588 0.83 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CYP3A4ALOX15
SCHEMBL15422780 0.83 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3CYP3A4ALOX15
SCHEMBL28944526 0.81 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3CYP3A4ALOX15
SCHEMBL12235313 0.80 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3CYP3A4ALOX15
SCHEMBL2270926 0.80 SLC6A4 (0.61) SLC6A2SLC6A4SLC6A3CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296681-B2 Cycloalkylmethylamines REVIVA PHARMACEUTICALS, INC. (US) 2016-03-29 US disclosed
US-9096515-B2 Methods of using cycloalkylmethylamine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-20140066500-A1 CYCLOALKYLMETHYLAMINES REVIVA PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20140024709-A1 METHODS OF USING CYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2014-01-23 US disclosed
US-8604244-B2 Compositions, synthesis, and methods of using cycloalkylmethylamine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2013-12-10 US disclosed
US-20120172426-A1 Compositions, Synthesis, and Methods of Using Cycloalkylmethylamine Derivatives REVIVA PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
WO-2012003501-A2 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING CYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2012-01-05 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-20140066500-A1 CYCLOALKYLMETHYLAMINES PNMT, TPH1, TPH2 SLC6A2 77/4885SLC6A4 15/4885SLC6A3 60/4885
US-20120172426-A1 Compositions, Synthesis, and Methods of Using Cycloalkylmethylamine Derivatives TPH1, TPH2, PNMT SLC6A2 192/4885SLC6A4 33/4885SLC6A3 119/4885
US-20140024709-A1 METHODS OF USING CYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, TPH1, TPH2 SLC6A2 97/4885SLC6A4 20/4885SLC6A3 66/4885

“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.