SCHEMBL3133100

SCHEMBL3133100

CCn1c(=O)n([C@H](CCN)c2ccccc2)c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.72
SLC6A4 P31645 10/20 0.72

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
SCHEMBL3142368 1.00 SLC6A2 (0.72) SLC6A2SLC6A4
SCHEMBL3137238 0.86 SLC6A2 (0.72) SLC6A2SLC6A4
SCHEMBL3147428 0.84 SLC6A2 (0.69) SLC6A2SLC6A4
SCHEMBL3147303 0.84 SLC6A2 (1.00) SLC6A2SLC6A4
SCHEMBL3131897 0.84 SLC6A2 (0.69) SLC6A2SLC6A4
SCHEMBL3146371 0.84 SLC6A2 (1.00) SLC6A2SLC6A4
SCHEMBL3147137 0.83 SLC6A2 (0.79) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3138204 0.83 SLC6A2 (0.97) SLC6A2SLC6A4
SCHEMBL3146670 0.83 SLC6A2 (0.79) SLC6A2SLC6A4
SCHEMBL3147349 0.76 SLC6A2 (0.73) SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687529-B2 Substituted propylamine derivatives and methods of their use WYETH LLC (US) 2010-03-30 US claimed
US-20070072928-A1 treatment of conditions ameliorated by monoamine reuptake including vasomotor symptoms, sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders; 1'-[3-(methylamino)-1-phenylpropyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one WYETH (US) 2007-03-29 US claimed
US-7687529-B2 Substituted propylamine derivatives and methods of their use WYETH LLC (US) 2010-03-30 US disclosed
US-7687529-B2 Substituted propylamine derivatives and methods of their use WYETH LLC (US) 2010-03-30 US disclosed
US-7687529-B2 Substituted propylamine derivatives and methods of their use WYETH LLC (US) 2010-03-30 US disclosed
EP-1934178-A2 SUBSTITUTED PROPYLAMINE DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2008-06-25 EP disclosed
WO-2007041257-A2 SUBSTITUTED PROPYLAMINE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-04-12 WO disclosed
WO-2007041257-A2 SUBSTITUTED PROPYLAMINE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-04-12 WO disclosed
US-20070072928-A1 treatment of conditions ameliorated by monoamine reuptake including vasomotor symptoms, sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders; 1'-[3-(methylamino)-1-phenylpropyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one WYETH (US) 2007-03-29 US disclosed
US-20070072928-A1 treatment of conditions ameliorated by monoamine reuptake including vasomotor symptoms, sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders; 1'-[3-(methylamino)-1-phenylpropyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one WYETH (US) 2007-03-29 US disclosed
US-20070072928-A1 treatment of conditions ameliorated by monoamine reuptake including vasomotor symptoms, sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders; 1'-[3-(methylamino)-1-phenylpropyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one 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-20070072928-A1 treatment of conditions ameliorated by monoamine reuptake including vasomotor symptoms, sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders; 1'-[3-(methylamino)-1-phenylpropyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one TPH1, HTR1A, HTR5A SLC6A2 9/4885SLC6A4 4/4885

“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.