SCHEMBL16042188

SCHEMBL16042188

CC(C)(C)OC(=O)N1CCCC2(CCC2N)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
EPHX1 P07099 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PREP P48147 2/20 0.39
KDM1A O60341 2/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RECQL P46063 1/20 0.38
EPHX2 P34913 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 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
SCHEMBL16042190 1.00 HPGD (0.46) HPGDEPHX1MAPTKDM4ETHRB
SCHEMBL16042332 1.00 HPGD (0.46) HPGDEPHX1MAPTKDM4ETHRB
SCHEMBL16044435 0.92 HPGD (0.41) HPGDEPHX1MAPTKDM4ETHRB
SCHEMBL25465739 0.87 HPGD (0.46) HPGDEPHX1MAPTKDM4ETHRB
SCHEMBL21748754 0.87 HPGD (0.46) HPGDEPHX1MAPTKDM4ETHRB
SCHEMBL19332014 0.87 HPGD (0.41) HPGDEPHX1MAPTKDM4ETHRB
SCHEMBL29699144 0.87 HPGD (0.41) HPGDEPHX1MAPTKDM4ETHRB
Hydrochloric Acid SCHEMBL29699111 0.85 HPGD (0.40) HPGDEPHX1MAPTKDM4ETHRB
SCHEMBL15769569 0.82 HPGD (0.47) HPGDEPHX1KDM1AUSP2SMN1; SMN2
SCHEMBL28622796 0.82 HPGD (0.47) HPGDEPHX1KDM1AUSP2SMN1; SMN2

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-9650358-B2 Pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-05-16 US disclosed
US-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 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 (1 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-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK6 HPGD 2169/4885EPHX1 2172/4885MAPT 2993/4885

“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.