SCHEMBL10309756

SCHEMBL10309756

CCc1cccc(N2CCOC(C(=O)OC(C)C)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NR1H2 P55055 3/20 0.37
▸ NR1H3 Q13133 3/20 0.37
▸ MAP3K5 Q99683 2/20 0.37
▸ AGXT P21549 1/20 0.37
▸ NOTUM Q6P988 1/20 0.36
▸ ACACB O00763 3/20 0.36
▸ BRS3 P32247 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL10224808 0.84 GRM2 (0.42) GRM2MAP3K5AGXTNOTUMMGLL
SCHEMBL10309786 0.77 AGXT (0.40) GRM2NR1H2NR1H3AGXTNOTUM
SCHEMBL10175527 0.75 ATM (0.43) GRM2AGXTMGLLALOX5
SCHEMBL10174869 0.72 MKNK1 (0.36) MAP3K5NOTUM
SCHEMBL28289823 0.70 PDK1 (0.48) MAPTMAP3K5NOTUMLMNA
SCHEMBL11197056 0.69 HTR1A (0.54) MAPTNOTUMLMNA
SCHEMBL4507051 0.68 AGXT (0.65) KDM4EMAPTL3MBTL1AGXTMGLL
SCHEMBL25617353 0.68 NOTUM (0.69) NOTUM
SCHEMBL23844438 0.68 L3MBTL3 (0.46) L3MBTL1AGXTNOTUMMGLLALOX5
SCHEMBL3265073 0.67 AR (0.45) L3MBTL1NOTUMMGLLALOX5

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-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 — — 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-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 GRM2 726/4885KDM4E 2025/4885POLB 2326/4885

“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.

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