SCHEMBL12523843

SCHEMBL12523843

CCOC(=O)c1ccc(OC2CN(C(=O)OC(C)(C)C)C2)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ PIK3CD O00329 1/20 0.42
▸ TP53 P04637 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ GPR119 Q8TDV5 6/20 0.41
▸ HPGD P15428 1/20 0.40
▸ ACACB O00763 1/20 0.40

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
SCHEMBL25093966 0.88 GPR119 (0.50) ALDH1A1EPHX2USP30GPR119
SCHEMBL30019202 0.88 GPR119 (0.50) ALDH1A1EPHX2USP30GPR119
SCHEMBL31044549 0.85 USP30 (0.44) EPHX2PIK3CDUSP30GPR119
SCHEMBL1698892 0.85 GPR119 (0.48) EPHX2PIK3CDUSP30GPR119
SCHEMBL29220834 0.84 PIK3CD (0.47) MEN1KMT2ASMN1; SMN2EPHX2PIK3CD
SCHEMBL29126541 0.83 USP30 (0.49) LMNANPSR1EPHX2USP30GPR119
SCHEMBL31178523 0.82 PARP1 (0.48) MEN1KMT2ASMN1; SMN2EPHX2USP30
SCHEMBL25093965 0.82 PARP1 (0.48) MEN1KMT2ASMN1; SMN2EPHX2USP30
SCHEMBL15000994 0.80 TNF (0.45) PIK3CDUSP30GPR119
SCHEMBL25282448 0.80 GPR119 (0.54) ALDH1A1PIK3CDUSP30GPR119

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 — — EP disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 — — US disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 — — US disclosed
EP-2695881-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-27 — — EP disclosed
EP-3002278-A1 GUANIDINE COMPOUND Astellas Pharma Inc. (JP) 2016-04-06 — — EP disclosed
US-20150203480-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-07-23 — — US disclosed
US-20150203480-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-07-23 — — US disclosed
US-9051283-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-9051283-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-20130143860-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-06 — — US disclosed
WO-2012124696-A1 GUANIDINE COMPOUND アステラス製薬株式会社 (JP) 2012-09-20 — — WO 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-20130143860-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB MEN1 4271/4885ALDH1A1 1249/4885LMNA 1578/4885
US-20150203480-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB MEN1 4271/4885ALDH1A1 1249/4885LMNA 1578/4885

“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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