SCHEMBL398708

SCHEMBL398708

CC(C)(C)OC(=O)N1CCCc2ccc(N)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.59
ATAD2 Q6PL18 1/20 0.59
NR1H2 P55055 1/20 0.56
MPO P05164 1/20 0.48
CHRM4 P08173 1/20 0.44
DRD2 P14416 1/20 0.44
HTR7 P34969 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KDM1A O60341 1/20 0.44
ESR2 Q92731 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CREBBP Q92793 1/20 0.41
AVPR2 P30518 2/20 0.40
NOTUM Q6P988 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL29984623 1.00 BRD4 (0.59) BRD4ATAD2NR1H2MPOCHRM4
SCHEMBL31521005 0.92 NR1H2 (0.62) BRD4ATAD2NR1H2MPOCHRM4
SCHEMBL1098102 0.92 NR1H2 (0.62) BRD4ATAD2NR1H2MPOCHRM4
SCHEMBL6846584 0.90 NR1H2 (0.56) BRD4ATAD2NR1H2MPOKDM4E
SCHEMBL1734404 0.85 ESR2 (0.55) BRD4ATAD2NR1H2MPOCHRM4
SCHEMBL15074680 0.85 KDM4E (0.58) BRD4NR1H2MPOCHRM4DRD2
SCHEMBL17795396 0.84 BRD4 (0.45) BRD4ATAD2NR1H2MPOCHRM4
SCHEMBL29631022 0.84 ALDH1A1 (0.45) BRD4NR1H2MPOCHRM4DRD2
SCHEMBL3576898 0.84 ALDH1A1 (0.45) BRD4NR1H2MPOCHRM4DRD2
SCHEMBL29507021 0.84 BRD4 (0.45) BRD4ATAD2NR1H2MPOCHRM4

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 136 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250074904-A1 NSD2-TARGETED CHECMICAL DEGRADERTS AND COMPOSITIONS AND METHODS OF USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2025-03-06 US disclosed
WO-2023091565-A1 NSD2-TARGETED CHEMICAL DEGRADERS AND COMPOSITIONS AND METHODS OF USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2023-05-25 WO disclosed
WO-2023072026-A1 SARM1 MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-05-04 WO disclosed
US-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC (US) 2023-04-06 US disclosed
US-11299493-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2022-04-12 US disclosed
EP-3564232-B1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2022-01-26 EP disclosed
WO-2021212039-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-10-21 WO disclosed
WO-2021212039-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-10-21 WO disclosed
US-20210154317-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS ARS Pharmaceuticals, Inc. 2021-05-27 US disclosed
US-10954216-B2 BMP-signal-inhibiting compound RIKEN (JP) 2021-03-23 US disclosed
EP-1974212-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH Vertex Pharmaceuticals Incorporated (US) 2008-10-01 EP disclosed
US-20080132540-A1 NON-PEPTIDIC NPY Y2 RECEPTOR INHIBITORS CARRUTHERS NICHOLAS I 2008-06-05 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-7317025-B2 Non-peptidic NPY Y2 receptor inhibitors JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, LLC (US) 2008-01-08 US disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 WO disclosed
US-20050070534-A1 Non-peptidic NPY Y2 receptor inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-31 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-11299493-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, NME1 BRD4 56/4885ATAD2 2507/4885NR1H2 4452/4885
US-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 BRD4 56/4885ATAD2 2507/4885NR1H2 4452/4885
US-10954216-B2 BMP-signal-inhibiting compound BMP1, BMP2, BMP4 BRD4 457/4885ATAD2 2424/4885NR1H2 1047/4885
US-20250074904-A1 NSD2-TARGETED CHECMICAL DEGRADERTS AND COMPOSITIONS AND METHODS OF USE THEREOF NCOR2, NSD2, NCOR1 BRD4 106/4885ATAD2 99/4885NR1H2 140/4885
US-20080132540-A1 NON-PEPTIDIC NPY Y2 RECEPTOR INHIBITORS NPY2R, NPY1R, NPY5R BRD4 2341/4885ATAD2 2981/4885NR1H2 1575/4885
US-20210154317-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS HAVCR2, FCGR3B, FCGR1A BRD4 2804/4885ATAD2 4218/4885NR1H2 335/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 BRD4 1716/4885ATAD2 597/4885NR1H2 234/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 BRD4 2321/4885ATAD2 768/4885NR1H2 286/4885
US-20050070534-A1 Non-peptidic NPY Y2 receptor inhibitors NPY2R, NPY1R, NPY5R BRD4 2341/4885ATAD2 2981/4885NR1H2 1575/4885

“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.