SCHEMBL166065

SCHEMBL166065

O=C1CCCN1CC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.48
TSHR P16473 2/20 0.47
CHRM2 P08172 3/20 0.44
CHRM5 P08912 3/20 0.44
CHRM1 P11229 3/20 0.44
CHRM3 P20309 3/20 0.44
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM4 P08173 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PER2 O15055 2/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
APEX1 P27695 2/20 0.41
PMP22 Q01453 2/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4542273 0.94 L3MBTL1 (0.44) PIK3CDTSHRCHRM2CHRM5CHRM1
SCHEMBL1570393 0.86 CHRM2 (0.39) PIK3CDTSHRCHRM2CHRM5CHRM1
SCHEMBL11235567 0.78 PIK3CD (0.48) PIK3CDTSHRCHRM2CHRM5CHRM1
SCHEMBL12228961 0.78 PIK3CD (0.53) PIK3CDTSHRCHRM2CHRM5CHRM1
SCHEMBL25173747 0.75 PER2 (0.54) PIK3CDTSHRCHRM2CHRM5CHRM1
SCHEMBL7619112 0.75 PIK3CD (0.50) PIK3CDTSHRCHRM2CHRM5CHRM1
SCHEMBL22323094 0.75 P2RX7 (0.33)
SCHEMBL18681180 0.75 PIK3CD (0.50) PIK3CDTSHRCHRM2CHRM5CHRM1
SCHEMBL419277 0.75
SCHEMBL4278259 0.74 KMT2A (0.59) PIK3CDTSHRCHRM2CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160237289-A1 COMPOSITION OF COATING SOLUTION AND DYE SOLVENT USED IN INFORMATION RECORDING MEDIA WANG FU-SHING (TW) 2016-08-18 US claimed
WO-2025030117-A1 FERROPTOSIS INDUCERS ARPEGGIO BIOSCIENCES, INC. (US) 2025-02-06 WO disclosed
WO-2022263530-A1 (THI)OXAZOLINE PESTICIDES ELANCO TIERGESUNDHEIT AG (US) 2022-12-22 WO disclosed
WO-2022263573-A1 ISOXAZOLINE PESTICIDES ELANCO TIERGESUNDHEIT AG (US) 2022-12-22 WO disclosed
CN-114222737-A Small molecule inhibitor of NF-kB induced kinase 詹森药业有限公司 2022-03-22 CN disclosed
WO-2021127188-A1 ISOXAZOLINE DERIVATIVES AS PESTICIDES ELANCO TIERGESUNDHEIT AG (CH) 2021-06-24 WO disclosed
EP-2632255-B1 DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME (US) 2017-06-21 EP disclosed
US-20160237289-A1 COMPOSITION OF COATING SOLUTION AND DYE SOLVENT USED IN INFORMATION RECORDING MEDIA WANG FU-SHING (TW) 2016-08-18 US disclosed
EP-2611802-B1 BICYCLIC AZA-HETEROCYCLES AND THEIR USE BAYER IP GMBH (DE) 2016-02-24 EP disclosed
US-9096592-B2 Bicyclic aza heterocycles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-20140148433-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-29 US disclosed
WO-2014042939-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-20 WO disclosed
EP-2611802-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-07-10 EP disclosed
WO-2012028647-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 WO disclosed
US-7714018-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2010-05-11 US disclosed
EP-1891042-A2 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB Pharma, S.A. (BE) 2008-02-27 EP disclosed
US-20070117859-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-05-24 US disclosed
US-7164019-B2 Such as cyclopentanecarboxylic acid {(S)-1-phenyl-3-[5-(pyridine-3-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-propyl}-amide; antagonists of chemokine receptors, useful for treating/preventing human immunodeficiency virus infection, AIDS or ARC ROCHE PALO ALTO LLC (US) 2007-01-16 US disclosed
WO-2006128693-A2 2 -OXO-I -PYRROLIDINE DERIVATIVES/ PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 WO disclosed
US-20060014767-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-01-19 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 (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-20140148433-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF AADAC, PAICS, TPMT PIK3CD 1371/4885TSHR 3140/4885CHRM2 2185/4885
US-20060014767-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 PIK3CD 3626/4885TSHR 1209/4885CHRM2 1818/4885
US-20070117859-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 PIK3CD 3626/4885TSHR 1209/4885CHRM2 1818/4885

“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.