SCHEMBL3829583

SCHEMBL3829583

C=CC(Cc1ccccc1)NC(O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.42
EPHX1 P07099 2/20 0.39
CYP1A2 P05177 1/20 0.38
MMP2 P08253 1/20 0.38
TRPA1 O75762 1/20 0.38
TAAR1 Q96RJ0 3/20 0.37
SIGMAR1 Q99720 2/20 0.37
SLC18A2 Q05940 1/20 0.37
CAPN1 P07384 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CTRB1 P17538 2/20 0.37

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
SCHEMBL15375405 0.88 EPHX1 (0.44) ACEEPHX1CYP1A2TAAR1SIGMAR1
SCHEMBL18435256 0.81 SIGMAR1 (0.46) CYP1A2TRPA1TAAR1SIGMAR1SLC18A2
SCHEMBL19559843 0.77 SIGMAR1 (0.53) EPHX1TAAR1SIGMAR1SLC18A2MEN1
SCHEMBL3554246 0.76 CTRB1 (0.50) ACECYP1A2TAAR1CAPN1NPC1
SCHEMBL7626858 0.76 CTRB1 (0.50) ACECYP1A2TAAR1CAPN1NPC1
SCHEMBL7789516 0.76 SIGMAR1 (0.53) EPHX1TAAR1SIGMAR1SLC18A2MEN1
SCHEMBL6926559 0.75 SIGMAR1 (0.36) ACEEPHX1TAAR1SIGMAR1MEN1
SCHEMBL7789508 0.74 EPHX1 (0.61) ACEEPHX1CYP1A2TAAR1SIGMAR1
SCHEMBL7789504 0.74 EPHX1 (0.61) ACEEPHX1CYP1A2TAAR1SIGMAR1
SCHEMBL1444462 0.74 CYP1A2 (0.45) EPHX1CYP1A2TRPA1TAAR1SIGMAR1

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-2102206-B1 SALTS OF 3-(3-AMINO-2-(R)-HYDROXY-PROPYL)-1-(4-FLUORO-PHENYL)-8-(8-METHYL-NAPHTHALEN-1-YLMETHYL)-1,3,8-TRIAZA-SPIRO[4.5]DECAN-4-ONE JANSSEN PHARMACEUTICA NV (BE) 2015-04-08 EP disclosed
US-8703948-B2 Salts of 3-(3-amino-2-(R)-hydroxy-propyl)-1-(4-fluoro-phenyl)-8-(8-methyl-naphthalen-1-ylmethyl)-1,3,8-triaza-spiro[4.5]decan-4-one JANSSEN PHARMACEUTICA NV (BE) 2014-04-22 US disclosed
CN-102600116-A Application of teprenone in resisting neurotoxicity caused by methamphetamine UNIV KUNMING SCIENCE & TECHNOLOGY 2012-07-25 CN disclosed
EP-2102206-A1 SALTS OF 3-(3-AMINO-2-(R)-HYDROXY-PROPYL)-1-(4-FLUORO-PHENYL)-8-(8-METHYL-NAPHTHALEN-1-YLMETHYL)-1,3,8-TRIAZA-SPIRO[4.5]DECAN-4-ONE JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-23 EP disclosed
EP-1765324-A4 COMPOSITIONS OF STABLE BIOACTIVE METABOLITES OF DOCOSAHEXAENOIC (DHA) AND EICOSAPENTAENOIC (EPA) ACIDS NATREON INC (US) 2009-07-01 EP disclosed
US-20080176882-A1 SALTS OF 3-(3-AMINO-2-(R)-HYDROXY-PROPYL)-1-(4-FLUORO-PHENYL)-8-(8-METHYL-NAPHTHALEN-1-YLMETHYL)-1,3,8-TRIAZA-SPIRO[4.5]DECAN-4-ONE JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-24 US disclosed
WO-2008067167-A1 SALTS OF 3-(3-AMINO-2-(R)-HYDROXY-PROPYL)-1-(4-FLUORO-PHENYL)-8-(8-METHYL-NAPHTHALEN-1-YLMETHYL)-1,3,8-TRIAZA-SPIRO[4.5]DECAN-4-ONE JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-05 WO disclosed
EP-1765324-A2 COMPOSITIONS OF STABLE BIOACTIVE METABOLITES OF DOCOSAHEXAENOIC (DHA) AND EICOSAPENTAENOIC (EPA) ACIDS Natreon Inc. (US) 2007-03-28 EP disclosed
WO-2006007310-A2 COMPOSITIONS OF STABLE BIOACTIVE METABOLITES OF DOCOSAHEXAENOIC (DHA) AND EICOSAPENTAENOIC (EPA) ACIDS NATREON INC. (US) 2006-01-19 WO disclosed
US-20050282781-A1 Compositions of stable bioactive metabolites of docosahexaenoic (DHA) and eicosapentaenoic (EPA) acids NATREON INC. 2005-12-22 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-20080176882-A1 SALTS OF 3-(3-AMINO-2-(R)-HYDROXY-PROPYL)-1-(4-FLUORO-PHENYL)-8-(8-METHYL-NAPHTHALEN-1-YLMETHYL)-1,3,8-TRIAZA-SPIRO[4.5]DECAN-4-ONE HTR1A, NR3C1, HTR4 ACE 4165/4885EPHX1 1846/4885CYP1A2 474/4885
US-20050282781-A1 Compositions of stable bioactive metabolites of docosahexaenoic (DHA) and eicosapentaenoic (EPA) acids ALOX15, ALOX12, BDKRB2 ACE 2718/4885EPHX1 145/4885CYP1A2 130/4885

“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.