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Sugi Predict / Compounds / SCHEMBL4635973

SCHEMBL4635973

SCHEMBL4635973

CC(C)(C)OC(=O)N1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ MAPT P10636 4/20 0.52
▸ MAPK1 P28482 3/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ CNR1 P21554 3/20 0.51
▸ STS P08842 4/20 0.49
▸ LMNA P02545 3/20 0.47
▸ DCTPP1 Q9H773 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CNR2 P34972 1/20 0.44
▸ BRD4 O60885 1/20 0.43

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
SCHEMBL4801290 0.92 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1NPC1HTT
SCHEMBL606162 0.88 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1NPC1HTT
SCHEMBL22587819 0.88 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1NPC1HTT
SCHEMBL28696655 0.88 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1NPC1HTT
SCHEMBL22716682 0.88 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1NPC1HTT
SCHEMBL19358814 0.87 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1NPC1HTT
SCHEMBL18547294 0.87 CNR1 (0.51) ALDH1A1MAPTMAPK1NPC1HTT
SCHEMBL22605844 0.87 ALDH1A1 (0.63) ALDH1A1MAPTMAPK1NPC1HTT
SCHEMBL8246164 0.87 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1NPC1HTT
SCHEMBL4670055 0.86 SMN1; SMN2 (0.59) ALDH1A1MAPTHTTL3MBTL1LMNA

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 22 patents — showing the first 20. 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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US disclosed
EP-3752150-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SRL (BE) 2020-12-23 — — EP disclosed
CN-112105357-A Pharmaceutically acceptable 6,5 heterobicyclic derivatives UCB生物制药有限责任公司 2020-12-18 — — CN disclosed
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 — — CN disclosed
CN-107001332-B Piperidine derivatives 豪夫迈·罗氏有限公司 2020-05-15 — — CN disclosed
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-10-10 — — US disclosed
WO-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — WO disclosed
EP-3227282-B1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-03 — — EP disclosed
US-10172843-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-01-08 — — US disclosed
WO-2016087352-A1 NOVEL PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-06-09 — — WO disclosed
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 — — US disclosed
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 — — US disclosed
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 — — US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 — — US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 — — US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 — — US disclosed
EP-1937670-A1 BENZIMIDAZOLONES WHICH HAVE ACTIVITY AT M1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-07-02 — — EP disclosed
WO-2007036711-A1 BENZIMIDAZOLONES WHICH HAVE ACTIVITY AT Ml RECEPTOR GLAXO GROUP LIMITED (GB) 2007-04-05 — — WO disclosed
WO-2007036711-A1 BENZIMIDAZOLONES WHICH HAVE ACTIVITY AT Ml RECEPTOR 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 (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-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B ALDH1A1 42/4885MAPT 2438/4885MAPK1 1613/4885
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 ALDH1A1 4838/4885MAPT 2459/4885MAPK1 4052/4885
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor CHRM1, CHRM2, CHRM4 ALDH1A1 839/4885MAPT 2221/4885MAPK1 772/4885
US-10172843-B2 Piperidine derivatives ADRA1D, ADORA1, ADRA1A ALDH1A1 25/4885MAPT 2465/4885MAPK1 1204/4885

“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.