SCHEMBL6124253

SCHEMBL6124253

CC(=O)N1CCc2cc(C(C)C)ccc21

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.65
TRIM24 O15164 1/20 0.58
CYP11B1 P15538 5/20 0.56
CYP11B2 P19099 5/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
RAB9A P51151 2/20 0.54
PDK1 Q15118 1/20 0.53
PDK2 Q15119 1/20 0.53
PDK3 Q15120 1/20 0.53
PDK4 Q16654 1/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
RECQL P46063 1/20 0.51
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL13711475 0.91 PDK1 (0.64) NOTUMTRIM24HTR2AHTR2CPDK1
SCHEMBL8567499 0.89 CYP11B1 (0.65) NOTUMTRIM24CYP11B1CYP11B2RAB9A
SCHEMBL27536609 0.88 NOTUM (0.61) NOTUMTRIM24CYP11B1CYP11B2RAB9A
SCHEMBL10080932 0.88 NOTUM (0.63) NOTUMTRIM24CYP11B1CYP11B2HTR2A
SCHEMBL8803741 0.87 NOTUM (0.60) NOTUMTRIM24CYP11B1CYP11B2RAB9A
SCHEMBL17368393 0.86 CYP11B1 (0.56) NOTUMTRIM24CYP11B1CYP11B2HTR2A
SCHEMBL27536610 0.85 NOTUM (0.58) NOTUMTRIM24CYP11B1CYP11B2RAB9A
SCHEMBL6124270 0.85 HTR2A (0.54) NOTUMTRIM24CYP11B1CYP11B2HTR2A
SCHEMBL15743832 0.85 NOTUM (0.61) NOTUMCYP11B1CYP11B2RAB9AKDM4E
SCHEMBL25913517 0.84 KDM4E (0.57) NOTUMTRIM24CYP11B1CYP11B2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3749355-B1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME UNIV MIAMI (US) 2024-07-03 EP disclosed
US-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MONASH UNIVERSITY (AU) 2023-10-05 US disclosed
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same UNIVERSITY OF MIAMI (US) 2023-05-16 US disclosed
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same UNIVERSITY OF MIAMI (US) 2023-05-16 US disclosed
US-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases GENFIT (FR) 2021-07-06 US disclosed
US-20210171469-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI 2021-06-10 US disclosed
WO-2019157065-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI (US) 2019-08-15 WO disclosed
US-20180085348-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-03-29 US disclosed
WO-2016145298-A1 METHODS FOR TREATING CANCER WITH RORgamma INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-09-15 WO disclosed
US-8809318-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-08-19 US disclosed
US-8487099-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 US disclosed
US-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 US disclosed
US-20110306593-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US 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 (9 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-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases RORA, RORC, RORB NOTUM 3285/4885TRIM24 786/4885CYP11B1 667/4885
US-20120107328-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 NOTUM 753/4885TRIM24 2930/4885CYP11B1 1738/4885
US-20210171469-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME CHUK, NOTCH1, NUAK1 NOTUM 823/4885TRIM24 2999/4885CYP11B1 3189/4885
US-20180085348-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS RORB, RORA, RORC NOTUM 3489/4885TRIM24 1769/4885CYP11B1 80/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 NOTUM 1224/4885TRIM24 1472/4885CYP11B1 1688/4885
US-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 NOTUM 776/4885TRIM24 1206/4885CYP11B1 1562/4885
US-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MAP2K2, BRPF3, BRDT NOTUM 4466/4885TRIM24 1103/4885CYP11B1 4145/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 NOTUM 1308/4885TRIM24 1082/4885CYP11B1 3116/4885
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same NOTCH1, CHUK, CBFB NOTUM 1022/4885TRIM24 2485/4885CYP11B1 3549/4885

“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.