SCHEMBL9822548

SCHEMBL9822548

CC(C)C1COCC(=O)N1C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
AR P10275 1/20 0.33
MDM2 Q00987 1/20 0.33
P2RX7 Q99572 1/20 0.32
NOTUM Q6P988 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
SCHEMBL20908467 0.85 MDM2 (0.31) MDM2P2RX7
SCHEMBL20672146 0.73 PIK3CD (0.33) PIK3CD
SCHEMBL12021225 0.72
SCHEMBL12213138 0.72
SCHEMBL12021331 0.72
SCHEMBL10160264 0.72
SCHEMBL10049353 0.71 PIK3CD (0.56) PIK3CDAR
SCHEMBL9926817 0.71 PIK3CD (0.56) PIK3CDAR
SCHEMBL9926814 0.71 PIK3CD (0.56) PIK3CDAR
SCHEMBL9980265 0.68 SRD5A1 (0.39) PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9879022-B2 Bicyclic-fused heteroaryl or aryl compounds PFIZER INC. (US) 2018-01-30 US disclosed
US-20160347760-A1 Bicyclic-Fused Heteroaryl or Aryl Compounds PFIZER INC. (US) 2016-12-01 US disclosed
US-5001113-A Di- or tripeptide renin inhibitors containing lactam conformational restriction in ACHPA MERCK & CO., INC. (US) 1991-03-19 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-20160347760-A1 Bicyclic-Fused Heteroaryl or Aryl Compounds UGT2B7, CYP3A43, CYP3A4 PIK3CD 2776/4885AR 283/4885MDM2 1027/4885

“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.