SCHEMBL766688

SCHEMBL766688

CC(C)CC[C@@H]1CCOC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.39
TLR7 Q9NYK1 1/20 0.33
DRD4 P21917 1/20 0.30
PDE4D Q08499 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
SCHEMBL16997066 1.00 PIK3CD (0.39) PIK3CDTLR7DRD4PDE4D
SCHEMBL20249095 0.88 PIK3CD (0.33) PIK3CD
SCHEMBL105008 0.86 PIK3CD (0.47) PIK3CDPDE4D
SCHEMBL16922221 0.81
SCHEMBL18427458 0.79
SCHEMBL16272959 0.77
SCHEMBL12657110 0.77
SCHEMBL170705 0.77
SCHEMBL25091045 0.76 OPRM1 (0.34) TLR7DRD4
SCHEMBL12039807 0.75 PIK3CD (0.38) PIK3CDTLR7

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-9567334-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-02-14 US disclosed
US-8329735-B2 Tetrazole compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-11 US disclosed
US-20120071529-A1 Tetrazole Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-22 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-20120071529-A1 Tetrazole Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 PIK3CD 2382/4885TLR7 287/4885DRD4 1365/4885

“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.