SCHEMBL221413

SCHEMBL221413

O=[C]c1occ2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
HSD17B10 Q99714 5/20 0.35
TDP1 Q9NUW8 3/20 0.35
CYP2A6 P11509 1/20 0.35
TSHR P16473 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PARP1 P09874 2/20 0.33
HPRT1 P00492 1/20 0.32
POLB P06746 2/20 0.32
PTPN1 P18031 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 2/20 0.31
HPGD P15428 2/20 0.31
ABCB11 O95342 1/20 0.31
NR3C1 P04150 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL4837030 0.78 CA1 (0.47) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL276956 0.70 ALDH1A1 (0.39) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL9390391 0.69 KDM4E (0.31) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL6586906 0.65 ALDH1A1 (0.39) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL1605255 0.65 ALDH1A1 (0.39) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL4897405 0.65 ALDH1A1 (0.39) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL1097671 0.65 CYP2A6 (0.42) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL2008998 0.65 ALDH1A1 (0.42) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL21179481 0.65 ALDH1A1 (0.39) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL2012336 0.65 ALDH1A1 (0.39) ALDH1A1HSD17B10TDP1CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174272-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-16 US disclosed
US-20210206781-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2021-07-08 US disclosed
EP-3686182-A1 CHEMICALLY ACTIVATED WATER-SOLUBLE PRODRUG Sumitomo Dainippon Pharma Co., Ltd. (JP) 2020-07-29 EP disclosed
US-10717748-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-21 US disclosed
US-20200207782-A1 CHEMICALLY ACTIVATED WATER-SOLUBLE PRODRUG SUMITOMO DAINIPPON PHARMA CO., LTD (JP) 2020-07-02 US disclosed
US-20200157117-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2020-05-21 US disclosed
US-10550129-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-04 US disclosed
CN-106957317-B Novel pyrazole derivatives 持田制药株式会社 2019-12-31 CN disclosed
EP-2982666-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 EP disclosed
US-20190233436-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2019-08-01 US disclosed
WO-2000023431-A1 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 2000-04-27 WO disclosed
US-5693810-A ENZYME INHIBITORS OF TESTOSTERONE-5ALPHA-REDUCTASE TO PREVENT OR LESSEN SYMPTOMS OF DIHYDROTESTOSTERONE-RELATED HYPERANDROGENIC CONDITIONS, E.G. PROSTATE PROBLEMS, SKIN DISORDERS MERCK & CO., INC. (US) 1997-12-02 US disclosed
EP-0663924-A4 17-g(b)-CARBOXANILIDES OF 4-AZA-5-g(a)-ANDROSTAN-3-ONES AS 5-g(a)-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-10-04 EP disclosed
EP-0663924-A1 17$g(b)-CARBOXANILIDES OF 4-AZA-5$g(a)-ANDROSTAN-3-ONES AS 5$g(a)-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-07-26 EP disclosed
WO-1994007861-A1 17β-CARBOXANILIDES OF 4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1994-04-14 WO disclosed
US-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 US disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4264498-A REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-28 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 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 (7 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-20200157117-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN1 ALDH1A1 101/4885HSD17B10 2762/4885TDP1 250/4885
US-20190233436-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN1 ALDH1A1 101/4885HSD17B10 2762/4885TDP1 250/4885
US-11174272-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases SNCA, HTT, PSEN1 ALDH1A1 101/4885HSD17B10 2762/4885TDP1 250/4885
US-20200207782-A1 CHEMICALLY ACTIVATED WATER-SOLUBLE PRODRUG NR0B1, CYP4A11, CYP4B1 ALDH1A1 422/4885HSD17B10 615/4885TDP1 2301/4885
US-10717748-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases SNCA, HTT, PSEN1 ALDH1A1 101/4885HSD17B10 2762/4885TDP1 250/4885
US-10550129-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases SNCA, HTT, PSEN1 ALDH1A1 101/4885HSD17B10 2762/4885TDP1 250/4885
US-20210206781-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN1 ALDH1A1 101/4885HSD17B10 2762/4885TDP1 250/4885

“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.