SCHEMBL2875675

SCHEMBL2875675

CC(C)N1CCC(Oc2cnc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.72
CYP2D6 P10635 1/20 0.56

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
SCHEMBL2872478 0.91 HRH3 (0.69) HRH3
SCHEMBL2874195 0.90 HRH3 (0.71) HRH3
SCHEMBL2872204 0.88 HRH3 (0.72) HRH3
SCHEMBL1375924 0.84 HRH3 (1.00) HRH3CYP2D6
Hydrochloric Acid SCHEMBL2874082 0.83 HRH3 (0.51) HRH3
SCHEMBL2872211 0.83 HRH3 (0.64) HRH3CYP2D6
SCHEMBL2872298 0.82 HRH3 (0.53) HRH3CYP2D6
SCHEMBL2868948 0.80 HRH3 (0.71) HRH3CYP2D6
SCHEMBL5016987 0.79 HRH3 (0.89) HRH3CYP2D6
SCHEMBL5016990 0.79 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966199-B1 AZAINDOLE-2-CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-10-20 EP claimed
US-7622466-B2 Azaindole-2-carboxamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-11-24 US claimed
US-20090005379-A1 Azaindole-2-Carboxamide Derivatives HOFFMANN-LA ROCHE, INC. 2009-01-01 US claimed
EP-1966199-A1 AZAINDOLE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP claimed
WO-2007057329-A1 AZAINDOLE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-05-24 WO claimed
EP-1966199-B1 AZAINDOLE-2-CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-10-20 EP disclosed
US-7622466-B2 Azaindole-2-carboxamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-11-24 US disclosed
US-20090005379-A1 Azaindole-2-Carboxamide Derivatives HOFFMANN-LA ROCHE, INC. 2009-01-01 US disclosed
EP-1966199-A1 AZAINDOLE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2007057329-A1 AZAINDOLE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-05-24 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-20090005379-A1 Azaindole-2-Carboxamide Derivatives HRH3, HRH4, H1-5 HRH3 1/4885CYP2D6 647/4885

“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.