SCHEMBL16450960

SCHEMBL16450960

CCCC1(C(=O)O)CCNC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 0.48
SLC6A4 P31645 18/20 0.48
SLC6A3 Q01959 18/20 0.48
CYP2D6 P10635 17/20 0.48
CYP2C19 P33261 1/20 0.31

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
SCHEMBL18597526 1.00 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL25962718 0.89 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL1292699 0.88 CYP2D6 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL28328339 0.87 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL16450958 0.85 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL29951019 0.84 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL15367695 0.83 CYP2D6 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL414945 0.81 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL15367602 0.80 CYP2D6 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL15353448 0.79 OPRM1 (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527810-B2 (3,4-dichloro-phenyl)-((S)-3-propyl-pyrrolidin-3-yl)-methanone hydrochloride and manufacturing processes HOFFMANN-LA ROCHE INC. (US) 2016-12-27 US disclosed
US-9527810-B2 (3,4-dichloro-phenyl)-((S)-3-propyl-pyrrolidin-3-yl)-methanone hydrochloride and manufacturing processes HOFFMANN-LA ROCHE INC. (US) 2016-12-27 US disclosed
US-20150045408-A1 (3,4-DICHLORO-PHENYL)-((S)-3-PROPYL-PYRROLIDIN-3-YL)-METHANONE HYDROCHLORIDE AND MANUFACTURING PROCESSES HOFFMANN-LA ROCHE INC. (US) 2015-02-12 US disclosed
US-20150045408-A1 (3,4-DICHLORO-PHENYL)-((S)-3-PROPYL-PYRROLIDIN-3-YL)-METHANONE HYDROCHLORIDE AND MANUFACTURING PROCESSES HOFFMANN-LA ROCHE INC. (US) 2015-02-12 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-20150045408-A1 (3,4-DICHLORO-PHENYL)-((S)-3-PROPYL-PYRROLIDIN-3-YL)-METHANONE HYDROCHLORIDE AND MANUFACTURING PROCESSES CYP2C19, CYP2D6, CYP4B1 SLC6A2 2974/4885SLC6A4 1316/4885SLC6A3 640/4885

“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.