SCHEMBL2912160

SCHEMBL2912160

CC1(c2ccccc2)CC(CCCc2ccccc2)=NO1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.38
HTR2A P28223 1/20 0.35
BACE1 P56817 1/20 0.35
OPRM1 P35372 3/20 0.35
OPRL1 P41146 3/20 0.35

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
SCHEMBL14884947 0.92 TDP1 (0.38) SIGMAR1
5-Methyl-3-Phenethyl-5-Phenyl-4,5-Dihydroisoxazole (Enantiomeric Mix) SCHEMBL2921112 0.91 ITGB1 (0.38) SIGMAR1BACE1OPRM1OPRL1
3-[3-(4-Hydroxy-Phenyl)-Propyl]-5-Methyl-5-Phenyl-4,5-Dihydro-Isoxazole (Enantiomeric Mix) SCHEMBL2915705 0.91 CALM1 (0.37) SIGMAR1
SCHEMBL14168752 0.73 ITGB1 (0.40) BACE1
SCHEMBL679659 0.71 KDM4E (0.43) BACE1OPRM1OPRL1
SCHEMBL2740913 0.71 KDM4E (0.43) BACE1OPRM1OPRL1
SCHEMBL13503873 0.70 ACHE (0.33) SIGMAR1OPRM1
SCHEMBL12595265 0.69 BACE1 (0.39) BACE1
SCHEMBL13255296 0.67 SCN9A (0.35) BACE1
SCHEMBL54347 0.64 HTR2A (0.70) SIGMAR1HTR2A

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 SIGMAR1 884/4885HTR2A 1055/4885BACE1 1902/4885
US-20140275186-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, NR5A1, SHBG SIGMAR1 264/4885HTR2A 1167/4885BACE1 3327/4885

“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.