SCHEMBL3948632

SCHEMBL3948632

CC(C)N1CCN(C(=O)c2ccc3c(ccn3CC3CCCCC3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.47
ACHE P22303 1/20 0.46
CHRNA7 P36544 2/20 0.44
CNR1 P21554 1/20 0.44

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 0.99 HRH3 (0.47) HRH3ACHECHRNA7CNR1
SCHEMBL3388045 0.94 HRH3 (0.52) HRH3CHRNA7CNR1
SCHEMBL3387634 0.90 HRH3 (0.44) HRH3CHRNA7
SCHEMBL3388925 0.88 HRH3 (0.45) HRH3CHRNA7
SCHEMBL3387874 0.88 HRH3 (0.44) HRH3CHRNA7CNR1
SCHEMBL3388747 0.86 HRH3 (0.43) HRH3CHRNA7CNR1
SCHEMBL3385999 0.85 HTR6 (0.52) HRH3CHRNA7
SCHEMBL3383957 0.85 HRH3 (0.47) HRH3
SCHEMBL3390069 0.84 HRH3 (0.50) HRH3ACHE
SCHEMBL3390065 0.84 HRH3 (0.43) HRH3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101605757-A Be used for (indoles-4-yl) of obesity treatment-or (indoles-5-yl)-piperazinyl methanone derivatives HOFFMANN LA ROCHE (CH) 2009-12-16 CN claimed
US-7557108-B2 (Indol-4-yl) or (indol-5-yl)-piperazinylmethanones HOFFMANN-LA ROCHE INC. (US) 2009-07-07 US claimed
US-20080188486-A1 (INDOL-4-YL) OR (INDOL-5-YL)-PIPERAZINYLMETHANONES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 US claimed
CN-101605757-A Be used for (indoles-4-yl) of obesity treatment-or (indoles-5-yl)-piperazinyl methanone derivatives HOFFMANN LA ROCHE (CH) 2009-12-16 CN disclosed
EP-2118057-A1 (INDOL-4-YL)- OR (INDOL-5-YL)-PIPERAZINYLMETHANONE DERIVATIVES FOR THE TREATMENT OF OBESITY F. Hoffmann-Roche AG (CH) 2009-11-18 EP disclosed
US-7557108-B2 (Indol-4-yl) or (indol-5-yl)-piperazinylmethanones HOFFMANN-LA ROCHE INC. (US) 2009-07-07 US disclosed
WO-2008095820-A1 (INDOL-4-YL)- OR (INDOL-5-YL)-PIPERAZINYLMETHANONE DERIVATIVES FOR THE TREATMENT OF OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 WO disclosed
US-20080188486-A1 (INDOL-4-YL) OR (INDOL-5-YL)-PIPERAZINYLMETHANONES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 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-20080188486-A1 (INDOL-4-YL) OR (INDOL-5-YL)-PIPERAZINYLMETHANONES HRH4, HRH3, H1-3 HRH3 2/4885ACHE 1068/4885CHRNA7 172/4885

“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.