SCHEMBL3383883

SCHEMBL3383883

CN1CCCC(Cn2ccc3cc(C(=O)N4CCN(C(C)(C)C)CC4)ccc32)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OXTR P30559 4/20 0.42
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
PADI4 Q9UM07 2/20 0.41
ACHE P22303 1/20 0.40
CNR1 P21554 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
HTR6 P50406 4/20 0.39
KDM2B Q8NHM5 1/20 0.38
MAP3K5 Q99683 1/20 0.38

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
SCHEMBL3387634 0.86 HRH3 (0.44) OXTRPADI4HRH3
SCHEMBL3388054 0.86 L3MBTL1 (0.46) OXTRHRH3
SCHEMBL3386084 0.86 L3MBTL3 (0.46) OXTRHRH3
SCHEMBL3387977 0.82 HPGD (0.42) OXTRHPGDTSHRPADI4
SCHEMBL3388925 0.77 HRH3 (0.45) OXTRPADI4HRH3
SCHEMBL3388747 0.77 HRH3 (0.43) OXTRCNR1HRH3KDM2B
SCHEMBL3386614 0.77 PKM (0.41) OXTRHPGDHRH3HTR6
SCHEMBL3386610 0.77 PKM (0.41) OXTRHPGDHRH3HTR6
SCHEMBL3390065 0.77 HRH3 (0.43) OXTRHRH3HTR6
SCHEMBL3390207 0.77 HRH3 (0.43) OXTRHRH3HTR6

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 OXTR 368/4885HPGD 356/4885TSHR 176/4885

“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.