SCHEMBL5480503

SCHEMBL5480503

CNC[C@H](O)[C@H](c1ccccc1)N1CCc2cc(NC(=O)c3ccccc3)ccc21

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.65
SLC6A4 P31645 13/20 0.65
RAB9A P51151 3/20 0.49
TMPRSS2 O15393 1/20 0.45
CHRM1 P11229 1/20 0.45
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
NFKB1 P19838 1/20 0.44
HTT P42858 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HSD17B3 P37058 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
SCHEMBL5480498 1.00 SLC6A2 (0.65) SLC6A2SLC6A4RAB9ATMPRSS2CHRM1
SCHEMBL4717685 1.00 SLC6A2 (0.65) SLC6A2SLC6A4RAB9ATMPRSS2CHRM1
Hydrochloric Acid SCHEMBL5475867 0.99 SLC6A2 (0.66) SLC6A2SLC6A4RAB9ATMPRSS2CHRM1
Hydrochloric Acid SCHEMBL5475860 0.99 SLC6A2 (0.66) SLC6A2SLC6A4RAB9ATMPRSS2CHRM1
SCHEMBL5483002 0.92 SLC6A2 (0.60) SLC6A2SLC6A4RAB9AMAPTNPC1
SCHEMBL5483667 0.92 SLC6A2 (0.60) SLC6A2SLC6A4RAB9AMAPTNPC1
SCHEMBL5483663 0.92 SLC6A2 (0.60) SLC6A2SLC6A4RAB9AMAPTNPC1
Hydrochloric Acid SCHEMBL5480848 0.91 SLC6A2 (0.60) SLC6A2SLC6A4RAB9AMAPTNPC1
Hydrochloric Acid SCHEMBL5484192 0.91 SLC6A2 (0.60) SLC6A2SLC6A4RAB9AMAPTNPC1
SCHEMBL4717815 0.89 RAB9A (0.52) SLC6A2SLC6A4RAB9ATMPRSS2CHRM1

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-20070072897-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2007-03-29 US disclosed
US-20070072897-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2007-03-29 US disclosed
US-20070072897-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2007-03-29 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 (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-20070072897-A1 Phenylaminopropanol derivatives and methods of their use COMT, PNMT, GLS SLC6A2 8/4885SLC6A4 16/4885RAB9A 2205/4885

“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.