SCHEMBL2769062

SCHEMBL2769062

CCc1ccc(CNc2noc3ccccc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.68
KCNA5 P22460 1/20 0.52
ACHE P22303 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
APP P05067 1/20 0.40
BCHE P06276 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 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
SCHEMBL2768006 0.82 EPHX2 (0.72) EPHX2KCNA5ACHERAB9AMEN1
SCHEMBL2769744 0.81 EPHX2 (1.00) EPHX2KCNA5APP
SCHEMBL13180234 0.79 EPHX2 (0.64) EPHX2KCNA5ACHENPC1RAB9A
SCHEMBL2769029 0.78 EPHX2 (0.60) EPHX2KCNA5ACHEMEN1KMT2A
SCHEMBL2769324 0.78 EPHX2 (0.70) EPHX2KCNA5ACHENPC1RAB9A
SCHEMBL11443225 0.78 KCNA5 (0.57) EPHX2KCNA5ACHEAPP
SCHEMBL21641915 0.76 KMT2A (0.61) MEN1KMT2AMAPTLMNA
SCHEMBL29940885 0.76 EPHX2 (0.57) EPHX2KCNA5ACHERAB9AMEN1
SCHEMBL28906138 0.76 EPHX2 (0.57) EPHX2KCNA5ACHERAB9AMEN1
SCHEMBL13146632 0.74 EPHX2 (0.51) EPHX2KCNA5NPC1MEN1KMT2A

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-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US claimed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US claimed
EP-1881967-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2008-01-30 EP claimed
WO-2006122800-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP disclosed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US disclosed
EP-1881967-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2008-01-30 EP disclosed
WO-2006122800-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2006-11-23 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 (1 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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 EPHX2 3694/4885KCNA5 38/4885ACHE 1251/4885

“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.