SCHEMBL3239237

SCHEMBL3239237

CCCN1CCC(c2c[nH]c3cc(C(=O)N4CCN(C(C)C)CC4)ccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.58
DRD2 P14416 5/20 0.58
SLC6A4 P31645 1/20 0.58
HTR2A P28223 6/20 0.50
HTR7 P34969 6/20 0.50
KCNH2 Q12809 3/20 0.50
HTR1F P30939 1/20 0.45
ADRA1D P25100 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
SCHEMBL3240674 0.92 HRH3 (0.60) HRH3DRD2SLC6A4HTR2AHTR7
SCHEMBL3239367 0.90 HRH3 (0.60) HRH3HTR1F
SCHEMBL3239247 0.90 HRH3 (0.60) HRH3DRD2SLC6A4
SCHEMBL3242457 0.90 HRH3 (0.55) HRH3DRD2SLC6A4HTR2AHTR7
SCHEMBL3242821 0.90 HRH3 (0.59) HRH3DRD2SLC6A4HTR2AHTR7
SCHEMBL3247741 0.89 HRH3 (0.57) HRH3HTR1F
SCHEMBL3239210 0.89 HRH3 (0.58) HRH3DRD2SLC6A4HTR2AHTR7
SCHEMBL3247172 0.87 HRH3 (0.56) HRH3DRD2SLC6A4HTR2AHTR7
SCHEMBL3236063 0.87 DRD2 (0.58) HRH3DRD2SLC6A4HTR2AHTR7
SCHEMBL3249663 0.86 KDM4E (0.57) HRH3KCNH2HTR1F

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-2069331-B1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2010-05-05 EP disclosed
EP-2069331-A1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2009-06-17 EP disclosed
US-7514433-B2 1H-indole-6-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-04-07 US disclosed
US-20080032976-A1 1H-indole-6-yl-piperazin-1-yl-methanone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-07 US disclosed
WO-2008015125-A1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-02-07 WO 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-20080032976-A1 1H-indole-6-yl-piperazin-1-yl-methanone derivatives HTR6, HTR1A, HRH4 HRH3 5/4885DRD2 452/4885SLC6A4 288/4885

“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.