SCHEMBL12526593

SCHEMBL12526593

CC(C)(C)OC(=O)N1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)C(=O)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HTT P42858 1/20 0.51
TP53 P04637 1/20 0.50
CYP2C19 P33261 1/20 0.50
STS P08842 1/20 0.48
GPR119 Q8TDV5 2/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
PARP1 P09874 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
USP30 Q70CQ3 1/20 0.44

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
SCHEMBL30368837 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTTP53
SCHEMBL14334288 0.94 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTTTP53
SCHEMBL30841381 0.94 USP30 (0.51) SMN1; SMN2NPC1RAB9AHTTTP53
SCHEMBL14334908 0.92 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTTP53
SCHEMBL23163823 0.91 PARP1 (0.47) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL28974757 0.91 PARP1 (0.47) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL18756737 0.89 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTTTP53
SCHEMBL14334656 0.87 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL31461542 0.87 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL310136 0.85 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTTCYP2C19

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 12 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-2012176123-A1 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2012-12-27 WO 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 SMN1; SMN2 679/4885NPC1 109/4885RAB9A 697/4885
US-20150203480-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB SMN1; SMN2 679/4885NPC1 109/4885RAB9A 697/4885

“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.