SCHEMBL17076715

SCHEMBL17076715

NC(=O)C1CN(C(=O)OCc2ccccc2)CC1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
CYP2C19 P33261 1/20 0.60
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTR2C P28335 1/20 0.45
PDE4B Q07343 1/20 0.45
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
TSHR P16473 1/20 0.43
GRIN2B Q13224 4/20 0.43
HTT P42858 1/20 0.43
F13A1 P00488 1/20 0.43
TGM2 P21980 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
SCHEMBL3185673 0.89 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL31525951 0.89 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL1119158 0.89 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL3195518 0.89 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL2621382 0.87 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL70761 0.87 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL2621378 0.87 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL70762 0.87 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL15183635 0.86 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL5747789 0.85 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 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 (5 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK SMN1; SMN2 882/4885CYP2C19 2941/4885NPC1 4398/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK SMN1; SMN2 835/4885CYP2C19 1846/4885NPC1 4727/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK SMN1; SMN2 882/4885CYP2C19 2941/4885NPC1 4398/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK SMN1; SMN2 986/4885CYP2C19 2888/4885NPC1 4434/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK SMN1; SMN2 986/4885CYP2C19 2888/4885NPC1 4434/4885

“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.