SCHEMBL25820350

SCHEMBL25820350

CC(C)c1cccc2c1CCN(C(C)C)C2=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.40
DPP4 P27487 2/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
ANPEP P15144 2/20 0.38
CNR1 P21554 1/20 0.36
KMT2A Q03164 1/20 0.36
IDH1 O75874 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
SCHEMBL24670531 0.84 IDH1 (0.46) DPP4NR1H2NR1H3ANPEPKMT2A
SCHEMBL18368381 0.83 POLB (0.48) GRM5DPP4NR1H2NR1H3ANPEP
SCHEMBL5811349 0.81 PARP10 (0.44) GRM5CNR1IDH1
SCHEMBL5808991 0.79 GRM5 (0.39) GRM5CNR1IDH1
SCHEMBL25465444 0.79 GRM5 (0.39) GRM5CNR1IDH1
SCHEMBL27049002 0.78 GRM5 (0.39) GRM5CNR1IDH1
SCHEMBL5806359 0.78 GRM5 (0.41) GRM5CNR1KMT2A
SCHEMBL9914264 0.77 FAAH (0.36) CNR1KMT2A
SCHEMBL31387075 0.77 GRM5 (0.39) GRM5CNR1
SCHEMBL27036982 0.77 GRM5 (0.39) GRM5CNR1IDH1

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA GRM5 2844/4885DPP4 3650/4885NR1H2 776/4885

“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.