SCHEMBL21165832

SCHEMBL21165832

CC(C)CN1C(=O)CC1C(C)C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.55
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
PDE4B Q07343 1/20 0.31
PDE7A Q13946 1/20 0.31
GAA P10253 1/20 0.30
CACNA1B Q00975 1/20 0.30

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
SCHEMBL19686585 0.81 PIK3CD (0.39) PIK3CDPOLBGAA
SCHEMBL13773173 0.71 PIK3CD (1.00) PIK3CD
SCHEMBL13773155 0.71 PIK3CD (1.00) PIK3CD
SCHEMBL10160264 0.69
SCHEMBL14012157 0.68 L3MBTL1 (0.42) PIK3CDPOLBGAA
SCHEMBL18812009 0.67 POLB (0.37) PIK3CDPOLBPDE4BPDE7A
SCHEMBL3948661 0.67 POLB (0.47) PIK3CDPOLBGAA
SCHEMBL12148577 0.66 GAA (0.50) PIK3CDPOLBGAA
SCHEMBL1682032 0.66 PIK3CD (0.50) PIK3CDPOLBGAA
SCHEMBL13478026 0.64 ALDH1A1 (0.42) PIK3CDPOLBGAA

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-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 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 (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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 PIK3CD 897/4885POLB 4802/4885TP53 4644/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 PIK3CD 897/4885POLB 4802/4885TP53 4644/4885

“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.