SCHEMBL872816

SCHEMBL872816

CC(C)CC(N)C1(c2ccccc2F)CCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
ALOX15 P16050 2/20 0.51
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
SLC6A4 P31645 10/20 0.48
SLC6A3 Q01959 10/20 0.48
SLC6A2 P23975 5/20 0.45
HDAC4 P56524 1/20 0.35
OPRK1 P41145 2/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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
Hydrochloric Acid SCHEMBL2142 0.81 SLC6A3 (0.36) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL9115421 0.78 CYP3A4 (0.69) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL13755347 0.75 HDAC4 (0.45) SLC6A4SLC6A3SLC6A2HDAC4OPRK1
SCHEMBL871577 0.75 CYP3A4 (0.70) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL872383 0.74 TP53 (0.56) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL20428043 0.72 HDAC4 (0.42) SLC6A4SLC6A3SLC6A2HDAC4OPRK1
SCHEMBL21937614 0.71 HDAC4 (0.40) CYP3A4SLC6A4SLC6A3SLC6A2HDAC4
SCHEMBL15066210 0.71 CYP3A4 (0.63) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL12235320 0.70 CYP3A4 (0.72) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL27899026 0.69 SLC6A4 (0.45) CYP3A4ALOX15TSHRTP53SLC6A4

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 CYP3A4 515/4885ALOX15 1517/4885TSHR 2441/4885
US-20120172426-A1 Compositions, Synthesis, and Methods of Using Cycloalkylmethylamine Derivatives TPH1, TPH2, PNMT CYP3A4 305/4885ALOX15 983/4885TSHR 3227/4885
US-20140024709-A1 METHODS OF USING CYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, TPH1, TPH2 CYP3A4 354/4885ALOX15 1127/4885TSHR 2539/4885

“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.