SCHEMBL16636446

SCHEMBL16636446

CN1CCN(Cc2cc(CNC3(c4ccccc4F)CCCC3)ccc2O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1D2 Q14995 2/20 1.00
NR1D1 P20393 1/20 1.00
BACE1 P56817 1/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HDAC1 Q13547 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHKA P35790 3/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
MPO P05164 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
SCHEMBL29378837 1.00 NR1D2 (1.00) NR1D2NR1D1BACE1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL16636902 0.99 NR1D2 (0.98) NR1D2NR1D1BACE1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL29497168 0.99 NR1D2 (0.98) NR1D2NR1D1BACE1KDM4EALDH1A1
SCHEMBL16638084 0.99 NR1D2 (0.98) NR1D2NR1D1BACE1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL16637574 0.98 NR1D2 (0.96) NR1D2NR1D1BACE1KDM4EALDH1A1
SCHEMBL16636389 0.98 NR1D2 (0.96) NR1D2NR1D1BACE1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL17982803 0.97 NR1D2 (0.94) NR1D2NR1D1BACE1KDM4EALDH1A1
SCHEMBL18021949 0.92 NR1D1 (0.86) NR1D2NR1D1BACE1KDM4EALDH1A1
SCHEMBL17982823 0.92 NR1D1 (0.86) NR1D2NR1D1BACE1KDM4EALDH1A1
SCHEMBL18021951 0.92 NR1D1 (0.86) NR1D2NR1D1BACE1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200165608-A1 INHIBITION OF VASCULAR ENDOTHELIAL CELL-MEDIATED PHAGOCYTIC PROCESSES FOR TREATMENT OF DEMYELINATING CONDITIONS NATIONAL SCIENCE FOUNDATION 2020-05-28 US claimed
EP-3055293-B1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FOND ST ITALIANO TECNOLOGIA (IT) 2017-12-06 EP claimed
US-9611245-B2 Diarylalkylamine REV-ERB antagonists and their use as medicaments FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-04-04 US claimed
US-20160237057-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2016-08-18 US claimed
US-20240415791-A1 Therapeutic methods and compositions for treating cancer using devimistat and a fatty acid oxidation inhibitor, a tyrosine kinase inhibitor, a glutaminase inhibitor, and/or a glycolysis inhibitor CORNERSTONE PHARMACEUTICALS INC (US) 2024-12-19 US disclosed
US-20230338363-A1 COMBINATION CHEMO-IMMUNOTHERAPY FOR PANCREATIC CANCER USING THE IMMUNOGENIC EFFECTS OF AN IRINOTECAN SILICASOME NANOCARRIER PLUS ANTI-PD-1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-26 US disclosed
US-20230330145-A1 NATURAL KILLER CELLS IMPERIAL COLLEGE INNOVATION LIMITED (GB) 2023-10-19 US disclosed
WO-2023070101-A1 THERAPEUTIC METHODS AND COMPOSITIONS FOR TREATING CANCER USING DEVIMISTAT AND A FATTY ACID OXIDATION INHIBITOR, A TYROSINE KINASE INHIBITOR, A GLUTAMINASE INHIBITOR, AND/OR A GLYCOLYSIS INHIBITOR CORNERSTONE PHARMACEUTICALS, INC. (US) 2023-04-27 WO disclosed
US-11566226-B2 Natural killer cells IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-01-31 US disclosed
US-11559547-B2 Natural killer cells IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-01-24 US disclosed
US-20230002732-A1 NATURAL KILLER CELLS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-01-05 US disclosed
US-20220054445-A1 THERAPEUTIC METHODS AND COMPOSITIONS FOR TREATING CANCER USING 6,8-BIS-BENZYLTHIO-OCTANOIC ACID AND AN AUTOPHAGY INHIBITOR RAFAEL PHARMACEUTICALS INC (US) 2022-02-24 US disclosed
US-9611245-B2 Diarylalkylamine REV-ERB antagonists and their use as medicaments FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-04-04 US disclosed
US-9611245-B2 Diarylalkylamine REV-ERB antagonists and their use as medicaments FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-04-04 US disclosed
US-9611245-B2 Diarylalkylamine REV-ERB antagonists and their use as medicaments FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-04-04 US disclosed
US-20160237057-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2016-08-18 US disclosed
US-20160237057-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2016-08-18 US disclosed
US-20160237057-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2016-08-18 US disclosed
EP-3055293-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS Fondazione Istituto Italiano di Tecnologia (IT) 2016-08-17 EP disclosed
WO-2015052283-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-04-16 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 (8 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-20230330145-A1 NATURAL KILLER CELLS PBK, NFATC1, IKZF2 NR1D2 2428/4885NR1D1 1774/4885BACE1 4632/4885
US-11559547-B2 Natural killer cells PBK, NFATC1, IKZF2 NR1D2 2428/4885NR1D1 1774/4885BACE1 4632/4885
US-20240415791-A1 Therapeutic methods and compositions for treating cancer using devimistat and a fatty acid oxidation inhibitor, a tyrosine kinase inhibitor, a glutaminase inhibitor, and/or a glycolysis inhibitor PDK4, PDK2, PDK1 NR1D2 3258/4885NR1D1 3286/4885BACE1 2079/4885
US-20160237057-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS NR1D1, NR1I3, BCOR NR1D2 9/4885NR1D1 1/4885BACE1 3057/4885
US-20220054445-A1 THERAPEUTIC METHODS AND COMPOSITIONS FOR TREATING CANCER USING 6,8-BIS-BENZYLTHIO-OCTANOIC ACID AND AN AUTOPHAGY INHIBITOR BECN1, ATG7, SQSTM1 NR1D2 3840/4885NR1D1 3489/4885BACE1 3679/4885
US-11566226-B2 Natural killer cells PBK, NFATC1, IKZF2 NR1D2 2428/4885NR1D1 1774/4885BACE1 4632/4885
US-20230002732-A1 NATURAL KILLER CELLS PBK, NFATC1, IKZF2 NR1D2 2428/4885NR1D1 1774/4885BACE1 4632/4885
US-20230338363-A1 COMBINATION CHEMO-IMMUNOTHERAPY FOR PANCREATIC CANCER USING THE IMMUNOGENIC EFFECTS OF AN IRINOTECAN SILICASOME NANOCARRIER PLUS ANTI-PD-1 SQSTM1, PDCD1, CD274 NR1D2 4103/4885NR1D1 3817/4885BACE1 450/4885

“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.