SCHEMBL3391336

SCHEMBL3391336

CC(C)N1CCN(C(=O)c2ccc3c(ccn3CCN(C)C)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.53
OXTR P30559 3/20 0.48
SLC6A4 P31645 2/20 0.47
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
CHRNA7 P36544 2/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL3387478 0.94 HRH3 (0.51) HRH3OXTRSLC6A4CHRNA7ITGB3
SCHEMBL3386743 0.91 DRD2 (0.48) HRH3OXTRSLC6A4
SCHEMBL3387643 0.86 HRH3 (0.51) HRH3OXTRSLC6A4ITGB3ITGA2B
SCHEMBL3391353 0.85 PDK1 (0.47) HRH3OXTRSLC6A4
SCHEMBL3388080 0.84 HRH3 (0.56) HRH3CHRNA7
SCHEMBL4351007 0.83 HRH3 (0.49) HRH3OXTRSLC6A4CHRNA7
SCHEMBL3391314 0.82 OXTR (0.52) HRH3OXTR
SCHEMBL3387602 0.82 HRH3 (0.54) HRH3CHRNA7
SCHEMBL18941317 0.81 OXTR (0.49) HRH3OXTRITGB3ITGA2B
SCHEMBL3389497 0.81 HRH3 (0.42) HRH3OXTRSLC6A4

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 4 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
US-7432255-B2 1H-indol-5-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-07 US 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 368/4885SLC6A4 518/4885

“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.