SCHEMBL3388045

SCHEMBL3388045

CC(C)N1CCC(Cn2ccc3cc(C(=O)N4CCN(C(C)C)CC4)ccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.52
CHRNA7 P36544 2/20 0.46
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
OXTR P30559 1/20 0.41

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
SCHEMBL3944012 0.95 HRH3 (0.47) HRH3CHRNA7CNR1CNR2OXTR
SCHEMBL3948632 0.94 HRH3 (0.47) HRH3CHRNA7CNR1
SCHEMBL3383957 0.89 HRH3 (0.47) HRH3CNR2
SCHEMBL3387634 0.88 HRH3 (0.44) HRH3CHRNA7OXTR
SCHEMBL3388925 0.86 HRH3 (0.45) HRH3CHRNA7OXTR
SCHEMBL3387874 0.85 HRH3 (0.44) HRH3CHRNA7CNR1CNR2OXTR
SCHEMBL3386129 0.85 HRH3 (0.45) HRH3CNR1CNR2OXTR
SCHEMBL3385999 0.85 HTR6 (0.52) HRH3CHRNA7OXTR
SCHEMBL3388747 0.84 HRH3 (0.43) HRH3CHRNA7CNR1CNR2OXTR
SCHEMBL3948161 0.83 HRH3 (0.41) HRH3CHRNA7CNR1CNR2OXTR

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 3/4885CHRNA7 132/4885CNR1 24/4885

“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.