SCHEMBL23309161

SCHEMBL23309161

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
CYP1A2 P05177 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2C9 P11712 4/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
USP2 O75604 3/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 3/20 0.36
KMT2A Q03164 2/20 0.36
EPHX2 P34913 2/20 0.36
MAPK1 P28482 2/20 0.36

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
SCHEMBL21937929 0.83 PIK3CD (0.39) PIK3CDCYP1A2TDP1CYP2C9ALDH1A1
SCHEMBL19132710 0.82 ALDH1A1 (0.41) PIK3CDCYP1A2TDP1ALDH1A1EPHX2
SCHEMBL19128916 0.82 HRH3 (0.39) PIK3CDCYP1A2TDP1EPHX2
SCHEMBL18217021 0.75 EPHX2 (0.49) CYP2D6KMT2AEPHX2MAPK1MEN1
SCHEMBL12258778 0.75 PIK3CD (0.45) PIK3CDCYP1A2TDP1CYP2C9ALDH1A1
SCHEMBL23309174 0.75 CYP1A2 (0.44) CYP1A2TDP1CYP2C9ALDH1A1CYP3A4
SCHEMBL23077821 0.74 CYP1A2 (0.43) PIK3CDCYP1A2TDP1CYP2C9ALDH1A1
SCHEMBL12029861 0.74 PIK3CD (0.44) PIK3CDCYP1A2TDP1CYP2C9ALDH1A1
SCHEMBL23309207 0.74 CYP1A2 (0.43) PIK3CDCYP1A2TDP1CYP2C9ALDH1A1
SCHEMBL7897247 0.74 PIK3CD (0.44) PIK3CDCYP1A2TDP1CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 US disclosed
US-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 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 (2 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-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE CYP2C19, CYP4A11, CYP11B1 PIK3CD 1425/4885CYP1A2 26/4885TDP1 4253/4885
US-11365192-B2 Pyridine compound substituted with azole CYP2C19, CYP4A11, CYP11B1 PIK3CD 1425/4885CYP1A2 26/4885TDP1 4253/4885

“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.