SCHEMBL10224808

SCHEMBL10224808

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.42
▸ NOTUM Q6P988 7/20 0.42
▸ KMO O15229 1/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ AGXT P21549 1/20 0.39
▸ MAP3K5 Q99683 1/20 0.38
▸ PDK1 Q15118 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ PRMT6 Q96LA8 1/20 0.37
▸ ALKBH1 Q13686 1/20 0.37

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
SCHEMBL10309756 0.84 GRM2 (0.39) GRM2NOTUMMGLLALOX5AGXT
SCHEMBL10175527 0.80 ATM (0.43) GRM2MGLLALOX5AGXTPRMT6
SCHEMBL25617353 0.78 NOTUM (0.69) NOTUM
SCHEMBL10309786 0.77 AGXT (0.40) GRM2NOTUMMGLLALOX5AGXT
SCHEMBL6501087 0.75 NOTUM (0.57) NOTUMMGLLCYP2C19
SCHEMBL4507051 0.73 AGXT (0.65) KMOMGLLALOX5AGXTPRMT6
SCHEMBL28805980 0.73 NOTUM (0.42) GRM2NOTUMKMOMAP3K5CYP2C19
SCHEMBL3265073 0.72 AR (0.45) NOTUMMGLLALOX5
SCHEMBL11197056 0.71 HTR1A (0.54) NOTUMCYP2C19
SCHEMBL4704945 0.71 NOTUM (0.49) NOTUMKMOMAP3K5CYP2C19

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 4 patents. 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
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 — — US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 — — US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 — — 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 (2 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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 GRM2 935/4885NOTUM 1254/4885KMO 538/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 GRM2 726/4885NOTUM 1334/4885KMO 457/4885

“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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