SCHEMBL22030477

SCHEMBL22030477

CC(C)(C)CC(=O)N1CCC(N2CCn3nccc3C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
CYP3A4 P08684 1/20 0.40
JAK1 P23458 2/20 0.39
JAK2 O60674 1/20 0.39
KDM4E B2RXH2 5/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
HIF1A Q16665 1/20 0.36
NAMPT P43490 2/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACHE P22303 4/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
KMT2A Q03164 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33

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
SCHEMBL18909452 0.86 ACACB (0.42) JAK1JAK2KDM4ECYP2C9CYP2C19
SCHEMBL24521443 0.84 JAK2 (0.39) JAK1JAK2KDM4ECYP2C9CYP2C19
SCHEMBL22030920 0.79 CYP3A4 (0.40) FAAHCYP3A4JAK1KDM4ECYP2C9
SCHEMBL22030491 0.72 MEN1 (0.40) FAAHKDM4ECYP2C9CYP2C19ALDH1A1
SCHEMBL22030496 0.72 HRH3 (0.44) FAAHKDM4ECYP2C9CYP2C19ALDH1A1
SCHEMBL22030494 0.72 ACHE (0.48) FAAHKDM4ECYP2C9CYP2C19ALDH1A1
SCHEMBL26138844 0.71 MEN1 (0.40) FAAHCYP3A4KDM4ECYP2C9CYP2C19
SCHEMBL21567932 0.71 KDM4E (0.48) FAAHKDM4ECYP2C9CYP2C19ALDH1A1
SCHEMBL22030919 0.69 KDM4E (0.43) FAAHCYP3A4KDM4ECYP2C9CYP2C19
SCHEMBL22030903 0.68 HRH3 (0.48) KDM4EALDH1A1

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 8 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
US-20220204517-A1 INHALED POWDER FORMULATIONS GENENTECH, INC. (US) 2022-06-30 US 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
US-20200165260-A1 INHALED POWDER FORMULATIONS GENENTECH, INC. (US) 2020-05-28 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 (6 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 FAAH 2544/4885CYP3A4 380/4885JAK1 1/4885
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 FAAH 3697/4885CYP3A4 2930/4885JAK1 2/4885
US-20200165260-A1 INHALED POWDER FORMULATIONS JAK1, STAT5A, JAK2 FAAH 3956/4885CYP3A4 2135/4885JAK1 1/4885
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof JAK1, JAK2, JAK3 FAAH 2544/4885CYP3A4 380/4885JAK1 1/4885
US-20220204517-A1 INHALED POWDER FORMULATIONS JAK1, STAT5A, JAK2 FAAH 3956/4885CYP3A4 2135/4885JAK1 1/4885
US-20210009599-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 FAAH 3697/4885CYP3A4 2930/4885JAK1 2/4885

“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.