SCHEMBL10309786

SCHEMBL10309786

CCc1cccc(N2CCOC(C(C)C)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AGXT P21549 3/20 0.40
▸ MGLL Q99685 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ GRM2 Q14416 1/20 0.37
▸ PRMT6 Q96LA8 1/20 0.36
▸ NR1H2 P55055 6/20 0.36
▸ NR1H3 Q13133 5/20 0.36
▸ BRS3 P32247 1/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ FFAR2 O15552 1/20 0.34
▸ NOTUM Q6P988 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
SCHEMBL10175527 0.82 ATM (0.43) AGXTMGLLALOX5GRM2PRMT6
SCHEMBL8643271 0.80 LMNA (0.47) FFAR2NOTUM
SCHEMBL10224808 0.77 GRM2 (0.42) AGXTMGLLALOX5GRM2PRMT6
SCHEMBL10309756 0.77 GRM2 (0.39) AGXTMGLLALOX5GRM2NR1H2
SCHEMBL4507051 0.75 AGXT (0.65) AGXTMGLLALOX5PRMT6
SCHEMBL23844438 0.75 L3MBTL3 (0.46) AGXTMGLLALOX5PRMT6NOTUM
SCHEMBL29157655 0.74 NOTUM (0.45) NOTUM
SCHEMBL29157654 0.74 NOTUM (0.45) NOTUM
SCHEMBL24681614 0.72 NOTUM (0.41) FFAR2NOTUM
SCHEMBL24681245 0.72 NOTUM (0.41) FFAR2NOTUM

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 AGXT 2011/4885MGLL 4175/4885ALOX5 958/4885

“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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