SCHEMBL6560052

SCHEMBL6560052

COc1ccc(C2(c3ccccc3)CC(C)N(C)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
BACE1 P56817 4/20 0.47
BACE2 Q9Y5Z0 3/20 0.47
MAPT P10636 3/20 0.44
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
CTSD P07339 3/20 0.40
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
HSD11B1 P28845 1/20 0.40
REN P00797 1/20 0.40
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
GRIN2B Q13224 1/20 0.39
NPY1R P25929 1/20 0.38

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
SCHEMBL6561883 0.88 KCNH2 (0.61) KCNH2BACE1BACE2MAPTOPRM1
SCHEMBL14497610 0.88 KCNH2 (0.61) KCNH2BACE1BACE2MAPTOPRM1
SCHEMBL14497609 0.88 KCNH2 (0.61) KCNH2BACE1BACE2MAPTOPRM1
SCHEMBL15154101 0.88 SIGMAR1 (0.48) KCNH2BACE1BACE2MAPTCTSD
SCHEMBL6560821 0.83 KCNH2 (0.52) KCNH2MAPTOPRM1GRIN2BNPY1R
Hydrochloric Acid SCHEMBL6561791 0.82 KCNH2 (0.49) KCNH2BACE1BACE2MAPTOPRM1
SCHEMBL15154321 0.77 KCNH2 (0.49) KCNH2OPRM1
SCHEMBL15154053 0.74 KCNH2 (0.41) KCNH2BACE1BACE2CTSDPRMT5
SCHEMBL19632855 0.72 BACE1 (0.44) BACE1BACE2MAPTOPRM1OPRL1
SCHEMBL15154012 0.72 KCNH2 (0.47) KCNH2BACE1BACE2MAPTOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458439-B1 2-ETHYLIDENE-1,5-DIMETHYL-3,3-DIPHENYLPYRROLIDINE ANALOGS AND METHODS FOR THEIR SYNTHESIS AND USE ALERE SAN DIEGO INC (US) 2021-12-08 EP disclosed
US-11192857-B2 2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine analogs and methods for their synthesis and use ALERE SAN DIEGO, INC. (US) 2021-12-07 US disclosed
US-20190292148-A1 2-ETHYLIDENE-1,5-DIMETHYL-3,3-DIPHENYLPYRROLIDINE ANALOGS AND METHODS FOR THEIR SYNTHESIS AND USE ALERE SAN DIEGO, INC. (US) 2019-09-26 US disclosed
EP-3458439-A1 2-ETHYLIDENE-1,5-DIMETHYL-3,3-DIPHENYLPYRROLIDINE ANALOGS AND METHODS FOR THEIR SYNTHESIS AND USE Alere San Diego, Inc. (US) 2019-03-27 EP disclosed
WO-2017201314-A1 2-ETHYLIDENE-1,5-DIMETHYL-3,3-DIPHENYLPYRROLIDINE ANALOGS AND METHODS FOR THEIR SYNTHESIS AND USE ALERE SAN DIEGO, INC. (US) 2017-11-23 WO disclosed
EP-0931062-B1 CONJUGATES AND SPECIFIC IMMUNOASSAYS FOR THE METHADONE METABOLITE 2-ETHYLIDINE-1,5-DIMETHYL-3,3-DIPHENYLPYRROLIDINE MICROGENICS CORP (US) 2004-11-17 EP disclosed
US-6140137-A METABOLITE LINKED TO POLYPEPTIDE FOR ANALYSIS AND ANTIBODY PRODUCTION; MONITORING COMPLIANCE WITH METHADONE TREATMENT MICROGENICS CORPORATION (US) 2000-10-31 US disclosed
EP-0931062-A1 CONJUGATES AND SPECIFIC IMMUNOASSAYS FOR THE METHADONE METABOLITE 2-ETHYLIDINE-1,5-DIMETHYL-3,3-DIPHENYLPYRROLIDINE MICROGENICS CORPORATION (US) 1999-07-28 EP disclosed
WO-1998054133-A1 CONJUGATES AND SPECIFIC IMMUNOASSAYS FOR THE METHADONE METABOLITE 2-ETHYLIDINE-1,5-DIMETHYL-3,3-DIPHENYLPYRROLIDINE MICROGENICS CORPORATION (US) 1998-12-03 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-11192857-B2 2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine analogs and methods for their synthesis and use DPYSL2, DNPEP, DPYSL3 KCNH2 4297/4885BACE1 3051/4885BACE2 1749/4885
US-20190292148-A1 2-ETHYLIDENE-1,5-DIMETHYL-3,3-DIPHENYLPYRROLIDINE ANALOGS AND METHODS FOR THEIR SYNTHESIS AND USE DPYSL2, DNPEP, DPYSL3 KCNH2 4297/4885BACE1 3051/4885BACE2 1749/4885

“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.