SCHEMBL972857

SCHEMBL972857

COCCCOC(c1ccccc1)C1CCNC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.57
SLC6A4 P31645 20/20 0.57
SLC6A3 Q01959 20/20 0.57
CYP2D6 P10635 3/20 0.50

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
SCHEMBL970844 0.97 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL968916 0.96 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL969536 0.92 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL969538 0.92 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL969539 0.92 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL968265 0.92 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL971721 0.92 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL969740 0.91 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL968507 0.90 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL1863001 0.90 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6

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-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

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 SLC6A2 1402/4885SLC6A4 2018/4885SLC6A3 1005/4885

“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.