SCHEMBL21133426

SCHEMBL21133426

CC(C)CN1CC(O[C@H](C)C(C)(C)C)CC1=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
PIK3CD O00329 4/20 0.37
PER2 O15055 1/20 0.34
CRY2 Q49AN0 1/20 0.34
P2RX7 Q99572 2/20 0.33
GRM5 P41594 1/20 0.32
GAA P10253 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
SCHEMBL19864354 0.85 POLB (0.32) POLB
SCHEMBL19646435 0.79
SCHEMBL22858651 0.77 POLB (0.30) POLB
SCHEMBL688493 0.74 POLB (0.60) POLBPIK3CDPER2CRY2P2RX7
SCHEMBL798077 0.73 POLB (0.55) POLBPIK3CDPER2CRY2P2RX7
SCHEMBL19863787 0.71
SCHEMBL3844844 0.70 POLB (0.51) POLBPIK3CDPER2CRY2P2RX7
SCHEMBL14370058 0.70 POLB (0.59) POLBPIK3CDPER2CRY2P2RX7
SCHEMBL17904507 0.68 POLB (0.57) POLBPIK3CDPER2P2RX7GRM5
SCHEMBL19481029 0.67 POLB (0.56) POLBPIK3CDPER2P2RX7GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329299-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2019-06-25 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-10329299-B2 Heterocyclic compounds and uses thereof PIK3CA, AKT1, AKT2 POLB 1683/4885PIK3CD 6/4885PER2 3890/4885

“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.