SCHEMBL3390885

SCHEMBL3390885

CCN1CC[C@H](n2ccc3cc(C(=O)N4CCN(C(C)C)CC4)ccc32)C1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.47
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
KCNH2 Q12809 1/20 0.42
CHRNA7 P36544 1/20 0.40

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
SCHEMBL3386037 1.00 HRH3 (0.47) HRH3HTR2AHTR7KCNH2CHRNA7
SCHEMBL3386153 0.91 CHRM2 (0.45) HRH3
SCHEMBL3385812 0.89 HRH3 (0.48) HRH3CHRNA7
SCHEMBL3387184 0.89 HRH3 (0.44) HRH3HTR2AHTR7KCNH2CHRNA7
SCHEMBL3387192 0.89 HRH3 (0.44) HRH3HTR2AHTR7KCNH2CHRNA7
SCHEMBL3390314 0.89 HRH3 (0.44) HRH3HTR2AHTR7KCNH2CHRNA7
SCHEMBL3383875 0.88 DRD2 (0.52) HRH3HTR2AHTR7KCNH2CHRNA7
SCHEMBL3386857 0.88 HRH3 (0.52) HRH3KCNH2
SCHEMBL3386140 0.86 L3MBTL3 (0.49) HRH3
SCHEMBL3385483 0.86 L3MBTL3 (0.48) HRH3

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 3/4885HTR2A 36/4885HTR7 12/4885

“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.