SCHEMBL6973124

SCHEMBL6973124

CCOC(=O)C1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.73
KDM4E B2RXH2 3/20 0.71
TSHR P16473 2/20 0.67
GLA P06280 1/20 0.65
KMT2A Q03164 3/20 0.65
MEN1 O00255 1/20 0.65
POLB P06746 1/20 0.65
NPC1 O15118 2/20 0.64
ALDH1A1 P00352 2/20 0.63
HSD17B10 Q99714 1/20 0.63
RAB9A P51151 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63

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
SCHEMBL14409571 0.89 TSHR (0.70) GAAKDM4ETSHRGLAKMT2A
SCHEMBL6532498 0.87 PARP10 (0.82) GAAKDM4ETSHRGLAKMT2A
SCHEMBL12569718 0.87 TSHR (0.68) GAAKDM4ETSHRGLAKMT2A
SCHEMBL314589 0.86 TSHR (0.75) GAAKDM4ETSHRGLAKMT2A
SCHEMBL4172039 0.86 TSHR (0.67) GAAKDM4ETSHRGLAKMT2A
SCHEMBL3339277 0.86 TSHR (0.67) GAAKDM4ETSHRGLAKMT2A
SCHEMBL4598393 0.85 TSHR (0.66) GAAKDM4ETSHRGLAKMT2A
SCHEMBL315088 0.84 TSHR (0.72) GAAKDM4ETSHRGLAKMT2A
SCHEMBL22720413 0.84 TSHR (0.65) GAAKDM4ETSHRGLAKMT2A
SCHEMBL12911161 0.84 TSHR (0.69) GAAKDM4ETSHRGLAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597733-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2023-03-07 US disclosed
WO-2021078120-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-29 WO disclosed
US-20210115065-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-22 US disclosed
US-10981860-B2 Caspase inhibitor and pharmaceutical composition, use and therapeutic method thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-04-20 US disclosed
US-20190135733-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-05-09 US disclosed
EP-3456711-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-03-20 EP disclosed
EP-2511276-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE Ube Industries, Ltd. (JP) 2012-10-17 EP disclosed
US-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2012-06-14 US disclosed
EP-0892795-B1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMA (JP) 2003-01-08 EP disclosed
EP-0881215-B1 PROCESS FOR THE PREPARATION OF 4-METHYLENEPIPERIDINES KAKEN PHARMA CO LTD (JP) 2001-09-05 EP disclosed
CN-1110685-A Nitrogen-containing spiro ring MERCK & CO INC (US) 1995-10-25 CN disclosed
WO-1995022548-A1 TRICYCLIC SPIROPIPERIDINES MERCK & CO., INC. (US) 1995-08-24 WO disclosed
US-5439914-A Antiarrhythmic agents; treating impaired cardiac pump funcations MERCK & CO., INC. (US) 1995-08-08 US disclosed
US-5298503-A Cardiovascular ADIR ET COMPAGNIE (FR) 1994-03-29 US disclosed
US-5206240-A Antiarrhythmia agents MERCK & CO., INC. (US) 1993-04-27 US disclosed
US-5169855-A PIPERIDINE ETHER DERIVATIVES AS PSYCHOTROPIC DRUGS OR PLANT FUNGICIDES DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-12-08 US disclosed
US-5114949-A Treating disorders associated with 5HT uptake RHONE-POULENC SANTE (FR) 1992-05-19 US disclosed
EP-0449187-A2 Piperidin ether derivatives as psychotropic drugs or plant fungicides THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-10-02 EP disclosed
CN-1053613-A Nitrogen-containing spiro ring MERCK & CO INC (US) 1991-08-07 CN disclosed
EP-0431943-A2 Nitrogen-containing spirocycles MERCK & CO. INC. (US) 1991-06-12 EP 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-10981860-B2 Caspase inhibitor and pharmaceutical composition, use and therapeutic method thereof CASP1, CASP14, CASP2 GAA 191/4885KDM4E 3409/4885TSHR 4838/4885
US-11597733-B2 Compounds and compositions for the treatment of parasitic diseases ABCB11, SQLE, FURIN GAA 85/4885KDM4E 1863/4885TSHR 4255/4885
US-20190135733-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF CASP1, CASP14, CASP2 GAA 191/4885KDM4E 3409/4885TSHR 4838/4885
US-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE ERBB2, EGFR, FGFR1 GAA 2434/4885KDM4E 3172/4885TSHR 178/4885
US-20210115065-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES ABCB11, SQLE, FURIN GAA 85/4885KDM4E 1863/4885TSHR 4255/4885

“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.