SCHEMBL5472545

SCHEMBL5472545

NCC(O)C(c1ccccc1)N1C(=O)C2(CCCCC2)c2ccc(F)cc21

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.48
SLC6A2 P23975 11/20 0.48
OPRL1 P41146 3/20 0.34
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34

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
SCHEMBL5476620 1.00 SLC6A4 (0.48) SLC6A4SLC6A2OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL5473284 0.99 SLC6A4 (0.47) SLC6A4SLC6A2OPRL1OPRM1OPRK1
SCHEMBL5476303 0.92 SLC6A4 (0.48) SLC6A4SLC6A2OPRL1OPRM1OPRK1
SCHEMBL5476855 0.92 SLC6A4 (0.48) SLC6A4SLC6A2OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL5472496 0.91 SLC6A4 (0.47) SLC6A4SLC6A2OPRL1OPRM1OPRK1
SCHEMBL4718968 0.91 SLC6A2 (0.48) SLC6A4SLC6A2OPRL1OPRM1OPRK1
SCHEMBL5473093 0.87 SLC6A2 (0.55) SLC6A4SLC6A2
SCHEMBL5481584 0.87 SLC6A2 (0.55) SLC6A4SLC6A2
SCHEMBL5476343 0.86 SLC6A2 (0.49) SLC6A4SLC6A2
SCHEMBL5481137 0.86 SLC6A2 (0.49) SLC6A4SLC6A2

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 2 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 claimed
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 SLC6A4 16/4885SLC6A2 8/4885OPRL1 65/4885

“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.