SCHEMBL3387634

SCHEMBL3387634

CC(C)N1CCN(C(=O)c2ccc3c(ccn3CC3CCCN(C)C3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.44
OXTR P30559 3/20 0.42
CHRNA7 P36544 2/20 0.41
PADI4 Q9UM07 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 0.91 HRH3 (0.47) HRH3OXTRCHRNA7
SCHEMBL3388925 0.91 HRH3 (0.45) HRH3OXTRCHRNA7PADI4
SCHEMBL3948632 0.90 HRH3 (0.47) HRH3CHRNA7
SCHEMBL3388747 0.90 HRH3 (0.43) HRH3OXTRCHRNA7
SCHEMBL3387874 0.90 HRH3 (0.44) HRH3OXTRCHRNA7
SCHEMBL3388045 0.88 HRH3 (0.52) HRH3OXTRCHRNA7
SCHEMBL3390735 0.88 KDM2B (0.45) HRH3OXTR
SCHEMBL3386084 0.86 L3MBTL3 (0.46) HRH3OXTR
SCHEMBL3383883 0.86 OXTR (0.42) HRH3OXTRPADI4
SCHEMBL3388054 0.86 L3MBTL1 (0.46) HRH3OXTR

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.