SCHEMBL1801136

SCHEMBL1801136

C=CC[C@@]1(O)CC[C@@H]1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.40
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
DPP4 P27487 1/20 0.39
SIGMAR1 Q99720 1/20 0.36
TEAD3 Q99594 1/20 0.34
PDPK1 O15530 1/20 0.34
MTOR P42345 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
F2 P00734 2/20 0.34
ELANE P08246 2/20 0.34
CTSG P08311 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CTSL P07711 1/20 0.33

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
SCHEMBL1794744 1.00 BCHE (0.40) BCHEOPRM1OPRL1DPP4SIGMAR1
SCHEMBL1794743 1.00 BCHE (0.40) BCHEOPRM1OPRL1DPP4SIGMAR1
SCHEMBL11011251 0.81 CARM1 (0.37) NPC1RAB9A
SCHEMBL29197407 0.78 OPRM1 (0.52) BCHEOPRM1OPRL1DPP4SIGMAR1
SCHEMBL14602694 0.76 OPRM1 (0.47) BCHEOPRM1OPRL1DPP4SIGMAR1
SCHEMBL13345971 0.76 OPRM1 (0.47) BCHEOPRM1OPRL1DPP4SIGMAR1
SCHEMBL24792756 0.74 OPRM1 (0.47) OPRM1OPRL1DPP4SIGMAR1PDPK1
SCHEMBL24792758 0.74 OPRM1 (0.47) OPRM1OPRL1DPP4SIGMAR1PDPK1
SCHEMBL24792755 0.74 OPRM1 (0.47) OPRM1OPRL1DPP4SIGMAR1PDPK1
SCHEMBL30137974 0.74 OPRM1 (0.47) OPRM1OPRL1DPP4SIGMAR1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633315-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-01-21 US disclosed
EP-2167471-B1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-10-16 EP disclosed
US-8552181-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-10-08 US disclosed
US-20130072483-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2013-03-21 US disclosed
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-08-30 US disclosed
US-8173810-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2012-05-08 US disclosed
US-8163909-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-7951838-B2 Substituted spirocyclic chromanamine compounds as Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-05-31 US disclosed
US-20100317668-A1 SUBSTITUTED PYRANO [2,3-B] PYRIDINAMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-16 US disclosed
US-7803809-B2 Substituted pyrano [2,3-b] pyridinamine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2010-09-28 US disclosed
US-20100120774-A1 Substituted Pyrano [2,3-b] Pyridinamine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2010-05-13 US disclosed
US-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2009-11-05 US disclosed
US-20090036478-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2009-02-05 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 (6 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-20100120774-A1 Substituted Pyrano [2,3-b] Pyridinamine compounds as beta-secretase modulators and methods of use BACE1, APP, BACE2 BCHE 12/4885OPRM1 1909/4885OPRL1 930/4885
US-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use BACE1, BACE2, APP BCHE 11/4885OPRM1 738/4885OPRL1 696/4885
US-20100317668-A1 SUBSTITUTED PYRANO [2,3-B] PYRIDINAMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, APP, BACE2 BCHE 12/4885OPRM1 1909/4885OPRL1 930/4885
US-20090036478-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use BACE1, BACE2, APP BCHE 8/4885OPRM1 905/4885OPRL1 401/4885
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP BCHE 10/4885OPRM1 431/4885OPRL1 405/4885
US-20130072483-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP BCHE 8/4885OPRM1 905/4885OPRL1 401/4885

“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.