SCHEMBL18909232

SCHEMBL18909232

CCC(=O)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
L3MBTL3 Q96JM7 1/20 0.51
ACHE P22303 1/20 0.50
CBX7 O95931 1/20 0.48
CDYL2 Q8N8U2 1/20 0.48
CDYL Q9Y232 1/20 0.48
CDY1; CDY1B Q9Y6F8 1/20 0.48
LMNA P02545 2/20 0.47
EPHX2 P34913 4/20 0.46
TSHR P16473 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 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
SCHEMBL18909245 0.94 L3MBTL3 (0.54) KDM4EALDH1A1L3MBTL1L3MBTL3ACHE
SCHEMBL18909099 0.92 HRH3 (0.47) KDM4EALDH1A1L3MBTL1L3MBTL3ACHE
SCHEMBL18909447 0.87 KDM4E (0.64) KDM4EALDH1A1L3MBTL1L3MBTL3ACHE
SCHEMBL18909114 0.86 HRH3 (0.51) KDM4EALDH1A1
SCHEMBL18909106 0.85 EPHX2 (0.43) KDM4EALDH1A1ACHEEPHX2CYP2C9
SCHEMBL12800833 0.84 CHRNB2 (0.46) KDM4EALDH1A1L3MBTL1L3MBTL3LMNA
SCHEMBL15759106 0.84 GNAI3 (0.50) KDM4EALDH1A1L3MBTL1L3MBTL3ACHE
SCHEMBL12313355 0.84 MEN1 (0.54) KDM4EALDH1A1L3MBTL1L3MBTL3EPHX2
SCHEMBL11927923 0.83 GNAI3 (0.56) KDM4EALDH1A1L3MBTL1L3MBTL3ACHE
SCHEMBL19259632 0.83 KDM4E (0.51) KDM4EALDH1A1L3MBTL1L3MBTL3ACHE

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-10-24 US disclosed
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-10-24 US disclosed
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-05-16 US disclosed
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-05-16 US disclosed
EP-3596072-B1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-06-22 EP disclosed
EP-3416967-B1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-02-09 EP disclosed
US-20210179626-A1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 US disclosed
US-20210009599-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-01-14 US disclosed
EP-3380474-B1 JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF HOFFMANN LA ROCHE (CH) 2019-08-21 EP disclosed
WO-2018122212-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2018-07-05 WO disclosed
US-9834521-B2 Choline kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
WO-2017140825-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-08-24 WO disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
WO-2017089390-A1 JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-01 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-20210179626-A1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 KDM4E 834/4885ALDH1A1 1102/4885L3MBTL1 4427/4885
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 KDM4E 1725/4885ALDH1A1 1817/4885L3MBTL1 3821/4885
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof JAK1, JAK2, JAK3 KDM4E 834/4885ALDH1A1 1102/4885L3MBTL1 4427/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 KDM4E 3392/4885ALDH1A1 2765/4885L3MBTL1 4204/4885
US-20210009599-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 KDM4E 1725/4885ALDH1A1 1817/4885L3MBTL1 3821/4885

“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.