SCHEMBL3248240

SCHEMBL3248240

CC(C)N1CCN(C(=O)c2ccc3c(C4CCCNC4)c[nH]c3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.56
CCNK O75909 6/20 0.44
CDK12 Q9NYV4 6/20 0.44
CCNE1 P24864 3/20 0.44
CDK2 P24941 3/20 0.44
CDK7 P50613 2/20 0.44
CCNH P51946 2/20 0.44
MNAT1 P51948 2/20 0.44
CHRNA7 P36544 2/20 0.41
GPR183 P32249 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40

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
SCHEMBL3243908 0.88 HRH3 (0.58) HRH3CHRNA7
SCHEMBL3240701 0.88 HRH3 (0.57) HRH3CHRNA7GPR183
SCHEMBL3239367 0.87 HRH3 (0.60) HRH3CHRNA7
SCHEMBL27746330 0.84 HRH3 (0.56) HRH3CHRNA7
SCHEMBL3247741 0.84 HRH3 (0.57) HRH3
SCHEMBL3244945 0.83 HRH3 (0.57) HRH3CHRNA7
SCHEMBL3245572 0.83 HRH3 (0.57) HRH3CHRNA7
SCHEMBL3249663 0.83 KDM4E (0.57) HRH3CHRNA7
SCHEMBL3242758 0.83 HRH3 (0.55) HRH3
SCHEMBL3242779 0.83 HRH3 (0.55) HRH3

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 5/4885CCNK 1487/4885CDK12 2251/4885

“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.