SCHEMBL1397963

SCHEMBL1397963

O=C(c1cc2cc(OC3CCN(C4CCC4)CC3)ccc2[nH]1)N1CCC(F)(F)CC1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.75
CYP2D6 P10635 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH4 Q9H3N8 2/20 0.47

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
SCHEMBL1397972 0.86 HRH3 (0.77) HRH3CYP2D6MEN1KMT2AHRH4
SCHEMBL1375924 0.85 HRH3 (1.00) HRH3CYP2D6
SCHEMBL3543333 0.83 HRH3 (0.54) HRH3KMT2AHRH4
SCHEMBL5023052 0.82 HRH3 (0.71) HRH3CYP2D6MEN1KMT2AHRH4
SCHEMBL5023060 0.82 HRH3 (0.71) HRH3CYP2D6MEN1KMT2AHRH4
SCHEMBL1397970 0.82 HRH3 (0.74) HRH3CYP2D6MEN1KMT2AHRH4
SCHEMBL1377004 0.82 HRH3 (1.00) HRH3HRH4
SCHEMBL5016990 0.82 HRH3 (0.89) HRH3CYP2D6
SCHEMBL5016987 0.82 HRH3 (0.89) HRH3CYP2D6
SCHEMBL5025822 0.82 HRH3 (0.89) HRH3CYP2D6

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 591/4885MEN1 2289/4885

“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.