SCHEMBL1553422

SCHEMBL1553422

CC(C)N1CCC(Oc2cc3cc(C(=O)O)[nH]c3cc2Br)CC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.54
IKBKB O14920 1/20 0.41
EIF4A3 P38919 2/20 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
Hydrochloric Acid SCHEMBL1398005 0.99 HRH3 (0.53) HRH3IKBKBEIF4A3
SCHEMBL3247828 0.88 HRH3 (0.55) HRH3EIF4A3
Hydrochloric Acid SCHEMBL3243371 0.87 HRH3 (0.54) HRH3EIF4A3
SCHEMBL1398003 0.86 HRH3 (0.50) HRH3
Hydrochloric Acid SCHEMBL1397945 0.86 HRH3 (0.53) HRH3EIF4A3
SCHEMBL3243379 0.86 HRH3 (0.61) HRH3IKBKB
SCHEMBL18332180 0.85 HRH3 (0.49) HRH3IKBKB
SCHEMBL1397982 0.85 HRH3 (0.76) HRH3
SCHEMBL5017152 0.84 HRH3 (0.73) HRH3EIF4A3
SCHEMBL1398002 0.84 HRH3 (0.70) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968967-B1 1,1-DIOXO-THIOMORPHOLINYL INDOLYL METHANONE DERIVATIVES FOR USE AS H3 MODULATORS HOFFMANN LA ROCHE (CH) 2011-04-27 EP disclosed
EP-2118089-B1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-05-12 EP disclosed
EP-2118089-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-11-18 EP disclosed
US-7538101-B2 1,1-dioxo-thiomorpholinyl indolyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-05-26 US disclosed
US-7507736-B2 Indol-2-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
EP-1968967-A1 1,1-DIOXO-THIOMORPHOLINYL INDOLYL METHANONE DERIVATIVES FOR USE AS H3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-17 EP disclosed
WO-2008095821-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 WO disclosed
US-20080188484-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-08-07 US disclosed
WO-2007062997-A1 1,1-DIOXO-THIOMORPHOLINYL INDOLYL METHANONE DERIVATIVES FOR USE AS H3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123526-A1 1,1-Dioxo-thiomorpholinyl indolyl methanone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 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 (2 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-20080188484-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HRH4, HRH3, HRH2 HRH3 2/4885IKBKB 2664/4885EIF4A3 2464/4885
US-20070123526-A1 1,1-Dioxo-thiomorpholinyl indolyl methanone derivatives MTNR1A, HTR1A, HRH4 HRH3 4/4885IKBKB 3455/4885EIF4A3 3065/4885

“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.