SCHEMBL1397972

SCHEMBL1397972

O=C(c1cc2cc(OC3CCNCC3)ccc2[nH]1)N1CCC(F)(F)CC1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.77
HRH4 Q9H3N8 4/20 0.50
CYP2D6 P10635 1/20 0.49
AKR1C3 P42330 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 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
SCHEMBL5023052 0.94 HRH3 (0.71) HRH3HRH4CYP2D6AKR1C3KMT2A
SCHEMBL5023060 0.94 HRH3 (0.71) HRH3HRH4CYP2D6AKR1C3KMT2A
SCHEMBL1375924 0.87 HRH3 (1.00) HRH3CYP2D6
SCHEMBL1397963 0.86 HRH3 (0.75) HRH3HRH4CYP2D6KMT2AMEN1
SCHEMBL1397970 0.84 HRH3 (0.74) HRH3HRH4CYP2D6AKR1C3KMT2A
SCHEMBL5025822 0.83 HRH3 (0.89) HRH3CYP2D6
SCHEMBL5016987 0.83 HRH3 (0.89) HRH3CYP2D6
SCHEMBL5016990 0.83 HRH3 (0.89) HRH3CYP2D6
Hydrochloric Acid SCHEMBL3246790 0.80 HRH3 (0.81) HRH3HRH4
SCHEMBL5016937 0.80 HRH3 (0.65) HRH3KMT2AMEN1

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 2/4885HRH4 1/4885CYP2D6 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.