SCHEMBL3389775

SCHEMBL3389775

Cc1cc2cc(C(=O)N3CCN(C(C)C)CC3)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.50
OXTR P30559 1/20 0.49
CHRNA7 P36544 2/20 0.49
HRH4 Q9H3N8 1/20 0.48
GPR183 P32249 1/20 0.47
TLR9 Q9NR96 1/20 0.47
TLR8 Q9NR97 1/20 0.47
TLR7 Q9NYK1 1/20 0.47

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
SCHEMBL13646754 0.85 HRH4 (0.64) HRH3OXTRHRH4
SCHEMBL3537928 0.85 HRH4 (0.55) HRH3CHRNA7HRH4
SCHEMBL3537499 0.84 HRH3 (0.64) HRH3CHRNA7HRH4
Hydrochloric Acid SCHEMBL3160840 0.84 HRH4 (0.54) HRH3CHRNA7HRH4
SCHEMBL4384728 0.83 HRH4 (0.59) HRH3HRH4
SCHEMBL3539676 0.83 HRH3 (0.66) HRH3CHRNA7HRH4
SCHEMBL3538745 0.83 HRH3 (0.66) HRH3CHRNA7HRH4
SCHEMBL3537063 0.83 HRH3 (0.62) HRH3HRH4
SCHEMBL3165702 0.82 HRH4 (0.58) HRH3HRH4
SCHEMBL3160488 0.82 HRH4 (0.58) HRH3HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029534-B1 1H-INDOL-5-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed
CN-101443311-A 1H-indol-5-yl-piperazin-1-yl-methanone derivatives HOFFMANN LA ROCHE (CH) 2009-05-27 CN disclosed
EP-2029534-A2 1H-INDOL-5-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
US-7432255-B2 1H-indol-5-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-07 US disclosed
WO-2007131907-A2 1H-INDOL-5-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-22 WO disclosed
US-20070270423-A1 IH-indol-5-YL-piperazin-1-YL-methanone derivatives HOFFMANN-LA ROCHE INC. 2007-11-22 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-20070270423-A1 IH-indol-5-YL-piperazin-1-YL-methanone derivatives HRH4, HRH2, HRH3 HRH3 3/4885OXTR 368/4885CHRNA7 132/4885

“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.