SCHEMBL15065637

SCHEMBL15065637

COc1ccc(C2(C(N)CC(C)C)CCC2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
SLC6A4 P31645 11/20 0.58
SLC6A2 P23975 7/20 0.58
SLC6A3 Q01959 11/20 0.55
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAOA P21397 1/20 0.42
CASP1 P29466 2/20 0.42
GAA P10253 1/20 0.42
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR2A P28223 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL2485 0.78 CYP3A4 (0.62) TSHRTP53CYP3A4ALOX15SLC6A4
SCHEMBL15065608 0.78 SLC6A4 (0.68) TSHRTP53CYP3A4ALOX15SLC6A4
SCHEMBL872306 0.77 SLC6A4 (0.92) TSHRTP53CYP3A4ALOX15SLC6A4
SCHEMBL10008912 0.77 SLC6A4 (0.92) TSHRTP53CYP3A4ALOX15SLC6A4
SCHEMBL15422561 0.76 SLC6A2 (0.62) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL12235320 0.76 CYP3A4 (0.72) TSHRTP53CYP3A4ALOX15SLC6A4
SCHEMBL2270713 0.75 CYP3A4 (0.70) TSHRTP53CYP3A4ALOX15SLC6A4
SCHEMBL8282927 0.75 CYP3A4 (0.70) TSHRTP53CYP3A4ALOX15SLC6A4
SCHEMBL2378403 0.75 CYP3A4 (0.97) TSHRTP53CYP3A4ALOX15SLC6A4
SCHEMBL682189 0.75 CYP3A4 (0.97) TSHRTP53CYP3A4ALOX15SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797870-B1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING 1-[1-PHENYL-CYCLOBUTYL]ISOBUTYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS INC (US) 2019-02-20 EP disclosed
US-10035761-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives Revivia Pharmaceuticals, Inc. (US) 2018-07-31 US disclosed
US-20180127362-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS INC (US) 2018-05-10 US disclosed
US-9695116-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
CN-104039753-B The compositions of phenylcycloalkyl methylamine derivative, synthesis and using method 雷维瓦药品公司 2016-09-14 CN disclosed
US-20160115121-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS INC (US) 2016-04-28 US disclosed
US-9238625-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2016-01-19 US disclosed
EP-2797870-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES Reviva Pharmaceuticals, Inc. (US) 2014-11-05 EP disclosed
US-20140024679-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2014-01-23 US disclosed
WO-2013102195-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2013-07-04 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 (4 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-20140024679-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, HTR6, COMT TSHR 2886/4885TP53 4482/4885CYP3A4 73/4885
US-10035761-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives PNMT, HTR6, COMT TSHR 2886/4885TP53 4482/4885CYP3A4 73/4885
US-20160115121-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, HTR6, COMT TSHR 2886/4885TP53 4482/4885CYP3A4 73/4885
US-20180127362-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, HTR6, COMT TSHR 2886/4885TP53 4482/4885CYP3A4 73/4885

“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.