SCHEMBL3249663

SCHEMBL3249663

CC(=O)N1CCC(c2c[nH]c3cc(C(=O)N4CCN(C(C)C)CC4)ccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
BRD4 O60885 1/20 0.57
ALDH1A1 P00352 1/20 0.57
POLB P06746 1/20 0.57
CREBBP Q92793 1/20 0.57
HRH3 Q9Y5N1 14/20 0.56
HTR1F P30939 1/20 0.42
CHRNA7 P36544 2/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3239367 0.94 HRH3 (0.60) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL3247741 0.91 HRH3 (0.57) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL27746330 0.89 HRH3 (0.56) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL3240701 0.89 HRH3 (0.57) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL3245572 0.88 HRH3 (0.57) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL3244945 0.88 HRH3 (0.57) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL3240674 0.88 HRH3 (0.60) ALDH1A1HRH3KCNH2
SCHEMBL3239293 0.88 HRH3 (0.55) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL3248778 0.87 HRH3 (0.54) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL3242821 0.87 HRH3 (0.59) KDM4EBRD4ALDH1A1POLBCREBBP

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 KDM4E 1083/4885BRD4 333/4885ALDH1A1 292/4885

“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.