SCHEMBL22030909

SCHEMBL22030909

CCC(=O)N1CCC(N(C)CC(C)(C)C#N)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.38
NPY5R Q15761 2/20 0.36
PGR P06401 4/20 0.34
CYP2D6 P10635 4/20 0.34
CYP2C9 P11712 4/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
PDK2 Q15119 1/20 0.33
EPHX1 P07099 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
SCHEMBL18909343 0.88 JAK2 (0.33) JAK2JAK1PDK2
SCHEMBL22891633 0.85 MEN1 (0.40) EPHX2CYP2C9JAK2JAK1PDK2
SCHEMBL18909240 0.81 EPHX2 (0.41) EPHX2NPY5RCYP2C9
SCHEMBL17285910 0.77 KMT2A (0.42)
SCHEMBL18909336 0.77 EPHX2 (0.39) EPHX2NPY5RPGRCYP2D6CYP2C9
SCHEMBL18673325 0.76 KMT2A (0.31)
SCHEMBL22891231 0.74 EPHX2 (0.49) EPHX2EPHX1
SCHEMBL19275282 0.74 EPHX2 (0.44) EPHX2NPY5REPHX1
SCHEMBL21281068 0.74 NPY5R (0.38) EPHX2NPY5RPGRCYP2D6CYP2C9
SCHEMBL21500975 0.74 HRH3 (0.33)

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 4 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
EP-3596072-B1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-06-22 EP 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 (3 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-11795170-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 EPHX2 1730/4885NPY5R 2990/4885PGR 1368/4885
US-20200165260-A1 INHALED POWDER FORMULATIONS JAK1, STAT5A, JAK2 EPHX2 4091/4885NPY5R 394/4885PGR 1084/4885
US-20210009599-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 EPHX2 1730/4885NPY5R 2990/4885PGR 1368/4885

“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.