SCHEMBL1398002

SCHEMBL1398002

CC(C)N1CCC(Oc2cc3cc(C(=O)N4CCC(F)(F)CC4)[nH]c3cc2Br)CC1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.70
CYP2D6 P10635 1/20 0.50

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
SCHEMBL1398001 0.89 HRH3 (0.70) HRH3CYP2D6
SCHEMBL3243379 0.89 HRH3 (0.61) HRH3
SCHEMBL1397982 0.88 HRH3 (0.76) HRH3
SCHEMBL3250421 0.87 HRH3 (0.59) HRH3
SCHEMBL1552625 0.87 HRH3 (0.70) HRH3
SCHEMBL3250582 0.85 HRH3 (0.57) HRH3
SCHEMBL3250525 0.84 HRH3 (0.59) HRH3
SCHEMBL3244092 0.84 HRH3 (0.56) HRH3
SCHEMBL3248115 0.84 HRH3 (0.56) HRH3
SCHEMBL3247295 0.84 HRH3 (0.56) 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-1957479-B1 1,5-SUBSTITUTED INDOL-2-YL AMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-02 EP disclosed
US-7745479-B2 1,5-substituted indol-2-yl amide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-06-29 US disclosed
EP-1957479-A2 1,5-SUBSTITUTED INDOL-2-YL AMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007062999-A2 1,5-SUBSTITUTED INDOL-2-YL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123515-A1 1,5-Substituted indol-2-yl amide 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 (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-20070123515-A1 1,5-Substituted indol-2-yl amide derivatives HRH4, HRH3, HRH2 HRH3 2/4885CYP2D6 591/4885

“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.