SCHEMBL539034

SCHEMBL539034

CC(C)(C)OC(=O)N1CCC[C@H]1CBr

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ FPR3 P25089 1/20 0.43
▸ FPR2 P25090 1/20 0.43
▸ PDE8B O95263 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ATM Q13315 2/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ UCHL1 P09936 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HPGD P15428 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
SCHEMBL29739 1.00 HSD17B10 (0.48) HSD17B10SMN1; SMN2ALDH1A1FPR3FPR2
SCHEMBL398772 1.00 HSD17B10 (0.48) HSD17B10SMN1; SMN2ALDH1A1FPR3FPR2
SCHEMBL190190 0.95 PDE8B (0.47) HSD17B10SMN1; SMN2ALDH1A1FPR3FPR2
SCHEMBL31114914 0.90 HSD17B10 (0.40) HSD17B10SMN1; SMN2ALDH1A1ATMHPGD
SCHEMBL19950330 0.90 HSD17B10 (0.40) HSD17B10SMN1; SMN2ALDH1A1ATMHPGD
SCHEMBL19951601 0.90 HSD17B10 (0.40) HSD17B10SMN1; SMN2ALDH1A1ATMHPGD
SCHEMBL14934749 0.88 HSD17B10 (0.46) HSD17B10SMN1; SMN2ALDH1A1FPR3FPR2
SCHEMBL841886 0.88 HSD17B10 (0.46) HSD17B10SMN1; SMN2ALDH1A1FPR3FPR2
SCHEMBL33526612 0.88 HSD17B10 (0.46) HSD17B10SMN1; SMN2ALDH1A1FPR3FPR2
SCHEMBL47049 0.85 L3MBTL1 (0.58) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2017-07-20 — — US disclosed
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2017-07-20 — — US disclosed
US-9650378-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2017-05-16 — — US disclosed
US-9650378-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2017-05-16 — — US disclosed
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES HARMONY BIOSCIENCES, LLC 2016-06-09 — — US disclosed
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES HARMONY BIOSCIENCES, LLC 2016-06-09 — — US disclosed
US-9296743-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2016-03-29 — — US disclosed
EP-2785717-B1 PYRAZOLOPYRROLIDINE COMPOUNDS NOVARTIS AG (CH) 2016-01-13 — — EP disclosed
US-8969341-B2 Pyrazolopyrrolidine compounds NOVARTIS AG (CH) 2015-03-03 — — US disclosed
US-20140350010-A1 Pyrazolopyrrolidine Compounds NOVARTIS AG (CH) 2014-11-27 — — US disclosed
US-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2009-05-21 — — US disclosed
US-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2009-05-21 — — US disclosed
US-20090082359-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES AMR TECHNOLOGY, INC. (US) 2009-03-26 — — US disclosed
EP-1877383-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS INHIBITORS OF KINASE ENZYMATIC ACTIVITY Chroma Therapeutics Limited (GB) 2008-01-16 — — EP disclosed
EP-1187846-B1 11BETA LONG-CHAIN SUBSTITUTED ESTRATRIENES, METHOD FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA LONG-CHAIN SUBSTITUTED ESTRATRIENES, AND THEIR USE FOR PRODUCING MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2007-04-18 — — EP disclosed
WO-2006117552-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS INHIBITORS OF KINASE ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2006-11-09 — — WO disclosed
US-6790842-B1 11β LONG-CHAIN SUBSTITUTED ESTRATRIENES, METHOD FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11β LONG-CHAIN SUBSTITUTED ESTATRIENES, AND THEIR USE FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-09-14 — — US disclosed
WO-1996040641-A1 SULFONAMIDE DERIVATIVES AS CELL ADHESION MODULATORS TANABE SEIYAKU CO., LTD. (JP) 1996-12-19 — — WO disclosed
US-4902684-A Benzazepine and benzothiazepine derivatives E. R. SQUIBB & SONS, INC. (US) 1990-02-20 — — US disclosed
WO-1989012633-A1 BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES E.R. SQUIBB & SONS, INC. (US) 1989-12-28 — — 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 (5 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-20140350010-A1 Pyrazolopyrrolidine Compounds MDM4, MDM2, TP53 HSD17B10 3676/4885SMN1; SMN2 141/4885ALDH1A1 2335/4885
US-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CDK1, AURKC, CSNK1G3 HSD17B10 1018/4885SMN1; SMN2 4769/4885ALDH1A1 2196/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 HSD17B10 269/4885SMN1; SMN2 2052/4885ALDH1A1 2106/4885
US-20090082359-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES CYP3A5, PNPO, NDUFS3 HSD17B10 1103/4885SMN1; SMN2 500/4885ALDH1A1 374/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 HSD17B10 269/4885SMN1; SMN2 2052/4885ALDH1A1 2106/4885

“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.

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