SCHEMBL6561883

SCHEMBL6561883

CC1CC(c2ccccc2)(c2ccccc2)C(=O)N1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.61
BACE1 P56817 3/20 0.38
BACE2 Q9Y5Z0 3/20 0.38
CTSD P07339 2/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
OPRM1 P35372 3/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38
APP P05067 2/20 0.37
REN P00797 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
MMP1 P03956 1/20 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
SCHEMBL14497609 1.00 KCNH2 (0.61) KCNH2BACE1BACE2CTSDPRMT5
SCHEMBL14497610 1.00 KCNH2 (0.61) KCNH2BACE1BACE2CTSDPRMT5
SCHEMBL6560821 0.91 KCNH2 (0.52) KCNH2OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL6560052 0.88 KCNH2 (0.50) KCNH2BACE1BACE2CTSDPRMT5
SCHEMBL15154321 0.87 KCNH2 (0.49) KCNH2OPRM1OPRD1OPRK1
SCHEMBL15154101 0.85 SIGMAR1 (0.48) KCNH2BACE1BACE2CTSDPRMT5
SCHEMBL19617488 0.79 KCNH2 (0.61) KCNH2OPRM1OPRD1OPRK1SMN1; SMN2
SCHEMBL14497613 0.79 KCNH2 (0.61) KCNH2OPRM1OPRD1OPRK1SMN1; SMN2
SCHEMBL14497614 0.79 KCNH2 (0.61) KCNH2OPRM1OPRD1OPRK1SMN1; SMN2
SCHEMBL28644761 0.78 KCNH2 (0.42) KCNH2BACE1BACE2CTSDPRMT5

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
CN-112625153-A Catalyst component for olefin polymerization, preparation method, catalyst and application thereof 中国石油化工股份有限公司 2021-04-09 CN claimed
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
CN-112625153-A Catalyst component for olefin polymerization, preparation method, catalyst and application thereof 中国石油化工股份有限公司 2021-04-09 CN 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
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.