SCHEMBL6828052

SCHEMBL6828052

COc1cccc(CC2CCN(Cc3ccccc3)C2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.56
HTR1A P08908 1/20 0.52
SLC6A4 P31645 1/20 0.52
ROCK2 O75116 1/20 0.52
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CMA1 P23946 1/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CLPP Q16740 1/20 0.47
PKM P14618 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45

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
SCHEMBL14177592 0.88 HTR1A (0.62) SIGMAR1HTR1ASLC6A4ROCK2KMT2A
SCHEMBL14177630 0.85 ALDH1A1 (0.55) KMT2AMEN1CMA1
SCHEMBL6733710 0.84 HSD11B1 (0.57) ROCK2KMT2AMEN1HDAC1HDAC8
SCHEMBL14177626 0.83 MAPT (0.51) SIGMAR1CMA1CLPP
SCHEMBL13717039 0.83 GRM2 (0.49) SIGMAR1KMT2AMEN1PDE4APDE4B
SCHEMBL7001262 0.83 MEN1 (0.57) SIGMAR1KMT2AMEN1
SCHEMBL14177621 0.82 CYP19A1 (0.48) SIGMAR1
SCHEMBL8562278 0.82 SIGMAR1 (0.55) SIGMAR1KMT2ACMA1PKM
SCHEMBL8562273 0.82 SIGMAR1 (0.55) SIGMAR1KMT2ACMA1PKM
SCHEMBL14177629 0.80 OPRK1 (0.50) SIGMAR1KMT2AMEN1CMA1

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-9776965-B2 Pyrrolidin-2-one and piperidin-2-one derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-10-03 US disclosed
US-9776965-B2 Pyrrolidin-2-one and piperidin-2-one derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-10-03 US disclosed
US-20160168094-A1 PYRROLIDIN-2-ONE AND PIPERIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-06-16 US disclosed
US-20160168094-A1 PYRROLIDIN-2-ONE AND PIPERIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-06-16 US disclosed
US-9302987-B2 Pyrrolidinyl derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2016-04-05 US disclosed
US-9302987-B2 Pyrrolidinyl derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2016-04-05 US disclosed
US-20150183735-A1 PYRROLIDINYL DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-07-02 US disclosed
US-20150183735-A1 PYRROLIDINYL DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-07-02 US disclosed
US-9012494-B2 Pyrrolidin-2-one and piperidin-2-one derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2015-04-21 US disclosed
US-9012494-B2 Pyrrolidin-2-one and piperidin-2-one derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2015-04-21 US disclosed
US-20080139625-A1 Metabolic syndrome; compounds are 1,3-substituted-2-oxo-(pyrrolidines or piperidines); 3-[(2,6-Dichlorophenyl)methyl]-1-(1-phenylpropyl)-2-pyrrolidinone for example INSTITUTE OF ORGANIC CHEMISTRY, BULGARIAN ACADEMY OF SCIENCES (BG) 2008-06-12 US disclosed
US-20080139625-A1 Metabolic syndrome; compounds are 1,3-substituted-2-oxo-(pyrrolidines or piperidines); 3-[(2,6-Dichlorophenyl)methyl]-1-(1-phenylpropyl)-2-pyrrolidinone for example INSTITUTE OF ORGANIC CHEMISTRY, BULGARIAN ACADEMY OF SCIENCES (BG) 2008-06-12 US disclosed
WO-2004075847-A2 METHODS AND COMPOUNDS FOR THE TREATMENT OF Aß­ ASSOCIATED DISEASES, DISORDERS, AND CONDITIONS MESSAGE PHARMACEUTICALS, INC. (US) 2004-09-10 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 (3 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-20150183735-A1 PYRROLIDINYL DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS HSD11B1, HSD3B1, HSD11B2 SIGMAR1 477/4885HTR1A 632/4885SLC6A4 1213/4885
US-20160168094-A1 PYRROLIDIN-2-ONE AND PIPERIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS HSD3B1, HSDL2, HSD11B1 SIGMAR1 692/4885HTR1A 666/4885SLC6A4 1888/4885
US-20080139625-A1 Metabolic syndrome; compounds are 1,3-substituted-2-oxo-(pyrrolidines or piperidines); 3-[(2,6-Dichlorophenyl)methyl]-1-(1-phenylpropyl)-2-pyrrolidinone for example NAT1, CBR1, PC SIGMAR1 532/4885HTR1A 471/4885SLC6A4 1408/4885

“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.