SCHEMBL15066049

SCHEMBL15066049

CSc1ccc(C2(C(N)CC(C)C)CCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.67
ALOX15 P16050 2/20 0.67
TSHR P16473 2/20 0.67
TP53 P04637 1/20 0.67
SLC6A4 P31645 15/20 0.62
SLC6A3 Q01959 13/20 0.62
SLC6A2 P23975 8/20 0.55
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
HTR2A P28223 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
MAOA P21397 1/20 0.40

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
SCHEMBL9863860 0.84 TP53 (0.48) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL12235320 0.83 CYP3A4 (0.72) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL2378403 0.81 CYP3A4 (0.97) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL2379467 0.81 CYP3A4 (0.97) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL682189 0.81 CYP3A4 (0.97) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL2270713 0.81 CYP3A4 (0.70) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL871577 0.81 CYP3A4 (0.70) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL13515587 0.81 CYP3A4 (0.70) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL8282927 0.81 CYP3A4 (0.70) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL9115421 0.81 CYP3A4 (0.69) 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 9 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
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 CYP3A4 73/4885ALOX15 1384/4885TSHR 2886/4885
US-10035761-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives PNMT, HTR6, COMT CYP3A4 73/4885ALOX15 1384/4885TSHR 2886/4885
US-20160115121-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, HTR6, COMT CYP3A4 73/4885ALOX15 1384/4885TSHR 2886/4885
US-20180127362-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, HTR6, COMT CYP3A4 73/4885ALOX15 1384/4885TSHR 2886/4885

“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.