SCHEMBL15419487

SCHEMBL15419487

CC(C)CC(NC(C)OC(=O)OC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.61
SLC6A3 Q01959 18/20 0.61
SLC6A2 P23975 17/20 0.61
KCNH2 Q12809 2/20 0.43
CYP2D6 P10635 1/20 0.42

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
SCHEMBL871999 0.83 SLC6A2 (0.77) SLC6A4SLC6A3SLC6A2
SCHEMBL871962 0.75 SLC6A2 (0.81) SLC6A4SLC6A3SLC6A2
SCHEMBL10007822 0.74 SLC6A4 (0.80) SLC6A4SLC6A3SLC6A2
SCHEMBL872344 0.74 SLC6A2 (0.81) SLC6A4SLC6A3SLC6A2
SCHEMBL3521787 0.74 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2KCNH2CYP2D6
SCHEMBL15422684 0.73 SLC6A3 (0.85) SLC6A4SLC6A3SLC6A2
SCHEMBL15422503 0.73 SLC6A3 (0.85) SLC6A4SLC6A3SLC6A2
SCHEMBL872240 0.72 SLC6A4 (0.85) SLC6A4SLC6A3SLC6A2
SCHEMBL2272723 0.72 SLC6A4 (0.81) SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL873021 0.71 SLC6A3 (1.00) SLC6A4SLC6A3SLC6A2

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 4 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

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-20140066500-A1 CYCLOALKYLMETHYLAMINES PNMT, TPH1, TPH2 SLC6A4 15/4885SLC6A3 60/4885SLC6A2 77/4885
US-20140024709-A1 METHODS OF USING CYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, TPH1, TPH2 SLC6A4 20/4885SLC6A3 66/4885SLC6A2 97/4885

“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.