5-Methyl-3-Phenethyl-5-Phenyl-4,5-Dihydroisoxazole (Enantiomeric Mix)

5-Methyl-3-Phenethyl-5-Phenyl-4,5-Dihydroisoxazole (Enantiomeric Mix)

SCHEMBL2921112

CC1(c2ccccc2)CC(CCc2ccccc2)=NO1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
SCN9A Q15858 3/20 0.35
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BACE1 P56817 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
SCHEMBL2912160 0.91 SIGMAR1 (0.38) OPRM1OPRL1SIGMAR1BACE1
3-[2-(4-Hydroxy-Phenyl)-Ethyl]-5-Methyl-5-Phenyl-4,5-Dihydro-Isoxazole (Enantiomeric Mix) SCHEMBL2920444 0.90 ESR1 (0.38) ITGB1ITGA4OPRM1OPRL1SCN9A
SCHEMBL14884947 0.83 TDP1 (0.38) SCN9AKCNH2SIGMAR1
3-[3-(4-Hydroxy-Phenyl)-Propyl]-5-Methyl-5-Phenyl-4,5-Dihydro-Isoxazole (Enantiomeric Mix) SCHEMBL2915705 0.82 CALM1 (0.37) SCN9ASIGMAR1
SCHEMBL14168752 0.82 ITGB1 (0.40) ITGB1ITGA4KCNH2BACE1
SCHEMBL2740913 0.73 KDM4E (0.43) OPRM1OPRL1SCN9ABACE1
SCHEMBL679659 0.73 KDM4E (0.43) OPRM1OPRL1SCN9ABACE1
SCHEMBL12595265 0.71 BACE1 (0.39) SCN9ABACE1
SCHEMBL14028657 0.71 ACHE (0.40) ITGB1ITGA4OPRM1KCNH2SIGMAR1
SCHEMBL5011048 0.70 TSHR (0.37) ITGB1ITGA4OPRM1KCNH2SIGMAR1

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-9278942-B2 Non-steroidal compounds as androgen receptor modulators FLX DISCOVERIES OY (FI) 2016-03-08 US disclosed
US-9278942-B2 Non-steroidal compounds as androgen receptor modulators FLX DISCOVERIES OY (FI) 2016-03-08 US disclosed
US-9278942-B2 Non-steroidal compounds as androgen receptor modulators FLX DISCOVERIES OY (FI) 2016-03-08 US disclosed
US-20140275186-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS FLX DISCOVERIES OY (FI) 2014-09-18 US disclosed
US-20140275186-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS FLX DISCOVERIES OY (FI) 2014-09-18 US disclosed
US-20140275186-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS FLX DISCOVERIES OY (FI) 2014-09-18 US disclosed
WO-2013057372-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS PULKKINEN JUHA (FI) 2013-04-25 WO disclosed
US-20100267784-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-10-21 US disclosed
US-20100267784-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-10-21 US disclosed
US-20100267784-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-10-21 US disclosed
EP-2222653-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY Pulkkinen, Juha (FI) 2010-09-01 EP disclosed
WO-2009066009-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA (FI) 2009-05-28 WO disclosed
WO-2009066009-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA (FI) 2009-05-28 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 (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-20100267784-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY ESR2, GPER1, CYP19A1 ITGB1 3353/4885ITGA4 1259/4885OPRM1 524/4885
US-20140275186-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, NR5A1, SHBG ITGB1 2547/4885ITGA4 1932/4885OPRM1 279/4885

“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.