SCHEMBL3388747

SCHEMBL3388747

CCCN1CCCC(Cn2ccc3cc(C(=O)N4CCN(C(C)C)CC4)ccc32)C1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.43
KDM2B Q8NHM5 4/20 0.42
CHRNA7 P36544 1/20 0.40
OXTR P30559 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39

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
SCHEMBL3387874 0.93 HRH3 (0.44) HRH3KDM2BCHRNA7OXTRCNR1
SCHEMBL3390735 0.91 KDM2B (0.45) HRH3KDM2BOXTR
SCHEMBL3387634 0.90 HRH3 (0.44) HRH3CHRNA7OXTR
SCHEMBL3390069 0.87 HRH3 (0.50) HRH3OXTR
SCHEMBL3944012 0.87 HRH3 (0.47) HRH3CHRNA7OXTRCNR1CNR2
SCHEMBL3388925 0.86 HRH3 (0.45) HRH3CHRNA7OXTR
SCHEMBL3948632 0.86 HRH3 (0.47) HRH3CHRNA7CNR1
SCHEMBL3388360 0.85 HRH3 (0.43) HRH3
SCHEMBL3388045 0.84 HRH3 (0.52) HRH3CHRNA7OXTRCNR1CNR2
SCHEMBL3390210 0.82 HRH3 (0.43) HRH3CHRNA7OXTRCNR2

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 5 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
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 3/4885KDM2B 1575/4885CHRNA7 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.