SCHEMBL5479224

SCHEMBL5479224

CC[C@@H](O)C(=O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 1/20 0.49
TSHR P16473 3/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.45
RECQL P46063 1/20 0.44
POLB P06746 3/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL12196226 1.00 CYP3A4 (0.50) CYP3A4CYP2C19GAATSHRHTT
SCHEMBL8483745 1.00 CYP3A4 (0.50) CYP3A4CYP2C19GAATSHRHTT
SCHEMBL5482918 0.85 CYP3A4 (0.47) CYP3A4CYP2C19GAATSHRHTT
SCHEMBL8488986 0.85 CYP3A4 (0.47) CYP3A4CYP2C19GAATSHRHTT
SCHEMBL13266392 0.82 CYP2C19 (0.51) CYP3A4CYP2C19GAATSHRHTT
SCHEMBL4616011 0.81 MMP1 (0.41) CYP2C19GAAHTTSMN1; SMN2ALDH1A1
SCHEMBL4618200 0.81 MMP1 (0.41) CYP2C19GAAHTTSMN1; SMN2ALDH1A1
SCHEMBL18783137 0.81 CYP3A4 (0.44) CYP3A4CYP2C19GAATSHRHTT
SCHEMBL14139307 0.80 CYP3A4 (0.42) CYP3A4CYP2C19GAATSHRHTT
SCHEMBL3062227 0.80 CYP3A4 (0.42) CYP3A4CYP2C19GAATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217724-B2 Indole, indazole, and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-15 US disclosed
US-20060063762-A1 Indole indazole and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2006-03-23 US disclosed
EP-1514869-A1 INDOLE, INDAZOLE, AND BENZAZOLE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-03-16 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-20060063762-A1 Indole indazole and benzazole derivative ADRB3, ADRA2C, ADRB2 CYP3A4 67/4885CYP2C19 109/4885GAA 2980/4885

“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.