SCHEMBL4801290

SCHEMBL4801290

CC(C)(C)OC(=O)N1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPT P10636 4/20 0.52
MAPK1 P28482 3/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 3/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CNR1 P21554 3/20 0.51
STS P08842 4/20 0.49
HCAR3 P49019 3/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
USP30 Q70CQ3 1/20 0.44
CNR2 P34972 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL16513098 0.94 LMNA (0.47) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL4635973 0.92 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL16485883 0.89 LMNA (0.48) ALDH1A1MAPTMAPK1L3MBTL1LMNA
SCHEMBL3094959 0.88 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL28502044 0.88 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL30870562 0.88 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL10059190 0.88 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL22716841 0.88 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL29791919 0.88 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL19358814 0.87 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1RAB9ANPC1

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 15 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
EP-3728220-B1 PHARMACEUTICAL COMPOUNDS REVIRAL LTD (GB) 2022-01-05 EP disclosed
US-11141406-B2 Pharmaceutical compounds ReViral Limited (GB) 2021-10-12 US disclosed
WO-2020240492-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-12-03 WO disclosed
US-20200316030-A1 PHARMACEUTICAL COMPOUNDS SILICON VALLEY BANK 2020-10-08 US disclosed
US-7846946-B2 Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists SCHERING PLOUGH CORPORATION (US) 2010-12-07 US disclosed
US-7635705-B2 treating allergy-induced airway responses, congestion, obesity, metabolic syndrome, alcoholic fatty liver disease, hepatic steatosis, nonalcoholic steatohepatitis, cirrhosis, hepatacellular carcinoma and cognition deficit disorders; histamine H3 antagonists SCHERING CORPORATION (US) 2009-12-22 US disclosed
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION 2009-11-19 US disclosed
US-7388020-B2 Benzimidazol derivatives modulate chemokine receptors ASTRAZENECA AB (SE) 2008-06-17 US disclosed
US-20070015807-A1 Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists SCHERING CORPORATION 2007-01-18 US disclosed
WO-2007001975-A1 PIPERIDINE DERIVATIVES USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION (US) 2007-01-04 WO disclosed
US-20040116435-A1 Benzimidazol derivatives modulate chemokine receptors ASTRAZENECA AB (SE) 2004-06-17 US disclosed
EP-1373248-A1 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS AstraZeneca AB (SE) 2004-01-02 EP disclosed
WO-2002074763-A9 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2002074763-A1 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-09-26 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 (4 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-11141406-B2 Pharmaceutical compounds CBR3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1 ALDH1A1 3355/4885MAPT 4010/4885MAPK1 2571/4885
US-20200316030-A1 PHARMACEUTICAL COMPOUNDS CBR3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1 ALDH1A1 3435/4885MAPT 4099/4885MAPK1 2619/4885
US-20070015807-A1 Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists HRH3, HRH4, CHRM2 ALDH1A1 1382/4885MAPT 3625/4885MAPK1 2566/4885
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS HRH3, HRH4, CHRM2 ALDH1A1 1382/4885MAPT 3625/4885MAPK1 2566/4885

“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.