SCHEMBL4648718

SCHEMBL4648718

CC(C)(C)OC(=O)N1CCC(Nc2cc(Br)c(F)cc2N)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GPR119 Q8TDV5 3/20 0.46
DPP4 P27487 1/20 0.45
EPHX1 P07099 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 1/20 0.43
CNR1 P21554 1/20 0.42
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
NSD2 O96028 1/20 0.41
BRD4 O60885 1/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
PTPN2 P17706 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
SCHEMBL29504377 0.94 HDAC1 (0.46) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL22724872 0.94 HDAC1 (0.46) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL28711512 0.94 HDAC1 (0.46) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL22724856 0.94 HDAC1 (0.46) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL18425256 0.91 ALDH1A1 (0.56) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL22724876 0.89 HDAC2 (0.45) ALDH1A1DPP4HDAC1HDAC2
SCHEMBL4647276 0.88 ALDH1A1 (0.50) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL22724836 0.88 USP30 (0.46) DPP4EPHX1HDAC1HDAC2
SCHEMBL22724904 0.88 USP30 (0.46) DPP4EPHX1HDAC1HDAC2
SCHEMBL29504440 0.88 USP30 (0.46) DPP4EPHX1HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113924296-A 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same 株式会社钟根堂 2022-01-11 CN disclosed
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
EP-1960389-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
EP-1960389-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
EP-1960389-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-08-27 EP disclosed
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 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 (1 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-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine CHRM1, CHRM2, CHRM5 ALDH1A1 1574/4885MAPT 1684/4885NPC1 676/4885

“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.