SCHEMBL12826872

SCHEMBL12826872

CCOC(=O)c1cc(N(C)CC2CCN(C(=O)OCc3ccccc3)CC2)n(C)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 14/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NAPEPLD Q6IQ20 1/20 0.45
▸ CYP2D6 P10635 4/20 0.45
▸ CYP2C9 P11712 4/20 0.45
▸ CYP2C19 P33261 1/20 0.44
▸ CYP3A4 P08684 3/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL12745291 0.91 GRIN2B (0.56) GRIN2BSMN1; SMN2NPC1RAB9ANAPEPLD
SCHEMBL12745281 0.90 GRIN2B (0.55) GRIN2BSMN1; SMN2NPC1RAB9ANAPEPLD
SCHEMBL1461684 0.82 GRIN2B (0.55) GRIN2BSMN1; SMN2NPC1RAB9ANAPEPLD
SCHEMBL12827320 0.81 L3MBTL1 (0.43) SMN1; SMN2NPC1RAB9ANAPEPLDCYP2C19
SCHEMBL12826870 0.78 HSD11B1 (0.45) GRIN2BCYP2D6CYP2C9
SCHEMBL21876932 0.77 TMEM97 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL21776298 0.77 SMN1; SMN2 (0.67) GRIN2BSMN1; SMN2NPC1RAB9ACYP2D6
SCHEMBL25382940 0.76 GRIN2B (0.52) GRIN2BSMN1; SMN2NPC1RAB9ACYP2D6
SCHEMBL12745126 0.76 ENPP2 (0.50) GRIN2BSMN1; SMN2NPC1RAB9ANAPEPLD
SCHEMBL1462911 0.73 SMN1; SMN2 (0.47) GRIN2BSMN1; SMN2NPC1RAB9ANAPEPLD

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-20110071289-A1 AMINOPYRAZOLE AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-03-24 — — 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-20110071289-A1 AMINOPYRAZOLE AMIDE DERIVATIVE ARGLU1, ARG1, CNKSR1 GRIN2B 3519/4885SMN1; SMN2 4234/4885NPC1 4064/4885

“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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