SCHEMBL1461684

SCHEMBL1461684

CCOC(=O)c1cc(N(C)CC2CCN(C(=O)OCc3ccccc3)CC2)[nH]n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 9/20 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 3/20 0.45
▸ CYP2C9 P11712 3/20 0.45
▸ CYP2C19 P33261 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ ENPP2 Q13822 1/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ FAAH O00519 1/20 0.43

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
SCHEMBL12745126 0.91 ENPP2 (0.50) GRIN2BSMN1; SMN2NPC1RAB9ANAPEPLD
SCHEMBL1462911 0.87 SMN1; SMN2 (0.47) GRIN2BSMN1; SMN2NPC1RAB9ANAPEPLD
SCHEMBL1461733 0.84 USP30 (0.45) GRIN2BSMN1; SMN2NPC1RAB9ANAPEPLD
SCHEMBL1462656 0.84 USP30 (0.45) GRIN2BSMN1; SMN2NPC1RAB9ANAPEPLD
SCHEMBL12826872 0.82 GRIN2B (0.55) GRIN2BSMN1; SMN2NPC1RAB9ANAPEPLD
SCHEMBL1463624 0.81 USP30 (0.44) SMN1; SMN2NPC1RAB9ANAPEPLDCYP2C19
SCHEMBL1461754 0.81 USP30 (0.44) SMN1; SMN2NPC1RAB9ANAPEPLDCYP2C19
SCHEMBL12745110 0.78 TP53 (0.45) SMN1; SMN2TP53THRBL3MBTL1
SCHEMBL21776298 0.77 SMN1; SMN2 (0.67) GRIN2BSMN1; SMN2NPC1RAB9ACYP2D6
SCHEMBL25382940 0.76 GRIN2B (0.52) GRIN2BSMN1; SMN2NPC1RAB9ACYP2D6

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 5 patents. 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
US-20110071289-A1 AMINOPYRAZOLE AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-03-24 — — US disclosed
CN-101827820-A Aminopyrazole amide derivative DAINIPPON SUMITOMO PHARMA CO 2010-09-08 — — CN disclosed
EP-2189449-A1 AMINOPYRAZOLE AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-05-26 — — EP disclosed
EP-2189449-A1 AMINOPYRAZOLE AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-05-26 — — EP 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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