SCHEMBL970288

SCHEMBL970288

CC(C)(C)OC(=O)N1CCO[C@@H]([C@@H](O)c2cccc(Cl)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.44
EPHA2 P29317 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP3A5 P20815 1/20 0.40
PDE4B Q07343 1/20 0.40
GRM5 P41594 1/20 0.39
CNR1 P21554 1/20 0.39
HSD17B2 P37059 1/20 0.39
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL970287 1.00 STS (0.44) STSEPHA2SMN1; SMN2TP53MAPT
SCHEMBL970289 1.00 STS (0.44) STSEPHA2SMN1; SMN2TP53MAPT
SCHEMBL5289403 0.88 PDE4B (0.40) EPHA2SMN1; SMN2MAPTPDE4BUSP30
SCHEMBL3329066 0.88 GPR119 (0.44) SMN1; SMN2TP53PDE4BGRM5USP30
SCHEMBL3325332 0.88 GPR119 (0.44) SMN1; SMN2TP53PDE4BGRM5USP30
SCHEMBL13299453 0.88 GPR119 (0.44) SMN1; SMN2TP53PDE4BGRM5USP30
SCHEMBL5289408 0.88 PDE4B (0.40) EPHA2SMN1; SMN2MAPTPDE4BUSP30
SCHEMBL5289397 0.88 PDE4B (0.40) EPHA2SMN1; SMN2MAPTPDE4BUSP30
SCHEMBL3327776 0.88 GPR119 (0.44) SMN1; SMN2TP53PDE4BGRM5USP30
SCHEMBL3329274 0.87 USP30 (0.45) SMN1; SMN2USP30

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-7872028-B2 Diaminopropanol renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2011-01-18 US disclosed
US-7872028-B2 Diaminopropanol renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2011-01-18 US disclosed
US-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders VITAE PHARMACEUTICALS, INC. 2009-07-23 US disclosed
US-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders VITAE PHARMACEUTICALS, INC. 2009-07-23 US disclosed
WO-2007117557-A2 DIAMINOPROPANOL RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117557-A2 DIAMINOPROPANOL RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 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 (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-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders DNPEP, ACE, DPEP1 STS 3828/4885EPHA2 3898/4885SMN1; SMN2 2664/4885

“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.