SCHEMBL3337833

SCHEMBL3337833

O=[N+]([O-])c1ccc(N2CC[C@H](O)[C@H]2CO)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.57
MAPT P10636 9/20 0.45
ADRB1 P08588 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.42
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTPN1 P18031 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
SCHEMBL6696588 1.00 GBA1 (0.57) GBA1MAPTADRB1SIRT6ALDH1A1
SCHEMBL6696966 0.78 MAPT (0.46) GBA1MAPTADRB1SIRT6ALDH1A1
SCHEMBL7100773 0.77 GBA1 (0.52) GBA1MAPTALDH1A1HTTTP53
Hydrochloric Acid SCHEMBL6703140 0.76 GBA1 (0.51) GBA1MAPTALDH1A1HTTTP53
Hydrochloric Acid SCHEMBL6700005 0.76 GBA1 (0.51) GBA1MAPTALDH1A1HTTTP53
SCHEMBL5653005 0.75 MAPT (0.47) GBA1MAPTADRB1SIRT6ALDH1A1
SCHEMBL1092846 0.75 MAPT (0.47) GBA1MAPTADRB1SIRT6ALDH1A1
SCHEMBL223024 0.75 MAPT (0.47) GBA1MAPTADRB1SIRT6ALDH1A1
SCHEMBL3136982 0.74 CUL4A (0.51) GBA1MAPTADRB1SIRT6ALDH1A1
Methoxymethane SCHEMBL5822675 0.74 MAPT (0.48) GBA1MAPTALDH1A1HTTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US claimed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP claimed
US-8592452-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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-20100152236-A1 Cyclic amine compound AR, FSHR, NR5A1 GBA1 4613/4885MAPT 4305/4885ADRB1 39/4885

“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.