SCHEMBL3147324

SCHEMBL3147324

O=c1n(-c2ccccc2)c2ccccc2n1[C@H](CCCl)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.70
SLC6A4 P31645 10/20 0.70
MAPK8 P45983 2/20 0.43
MAPK9 P45984 1/20 0.43
HTR7 P34969 1/20 0.37
PGR P06401 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL3133340 1.00 SLC6A2 (0.70) SLC6A2SLC6A4MAPK8MAPK9HTR7
SCHEMBL3138734 0.82 SLC6A2 (1.00) SLC6A2SLC6A4
SCHEMBL3142436 0.82 SLC6A2 (1.00) SLC6A2SLC6A4
SCHEMBL3138406 0.81 SLC6A2 (0.71) SLC6A2SLC6A4
SCHEMBL3147064 0.81 SLC6A2 (0.71) SLC6A2SLC6A4
SCHEMBL3137003 0.81 SLC6A2 (0.71) SLC6A2SLC6A4
SCHEMBL3137238 0.79 SLC6A2 (0.72) SLC6A2SLC6A4PGR
SCHEMBL3137252 0.78 SLC6A2 (0.73) SLC6A2SLC6A4
SCHEMBL3138374 0.77 SLC6A2 (0.72) SLC6A2SLC6A4
SCHEMBL3151314 0.77 SLC6A2 (0.72) 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 2 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 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 4/4885MAPK8 2548/4885

“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.