SCHEMBL3536745

SCHEMBL3536745

CCOC(=O)c1cccc(-n2c(C(=O)N3CCC(F)(F)CC3)cc3cc(C(=O)N4CCN(C(C)C)CC4)ccc32)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.50
CYP2D6 P10635 1/20 0.44
HPGD P15428 5/20 0.43
LMNA P02545 2/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.38
ALOX15 P16050 1/20 0.38
F10 P00742 1/20 0.37

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
SCHEMBL3539583 0.88 HRH3 (0.47) HRH3HPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL3538048 0.87 HRH3 (0.53) HRH3CYP2D6HPGDALDH1A1SMN1; SMN2
SCHEMBL3538457 0.86 HRH3 (0.53) HRH3CYP2D6HPGDALDH1A1TSHR
SCHEMBL3547541 0.86 HRH3 (0.57) HRH3CYP2D6HPGDALDH1A1SMN1; SMN2
SCHEMBL3539043 0.85 HRH3 (0.51) HRH3CYP2D6HPGDLMNAALDH1A1
SCHEMBL3539964 0.83 HRH3 (0.55) HRH3CYP2D6HPGDLMNAALDH1A1
SCHEMBL3538084 0.83 HRH3 (0.50) HRH3CYP2D6HPGDALDH1A1SMN1; SMN2
SCHEMBL3535875 0.82 HRH3 (0.55) HRH3CYP2D6HPGDALDH1A1
SCHEMBL3541794 0.81 HRH3 (0.55) HRH3CYP2D6LMNASMN1; SMN2TSHR
SCHEMBL3541342 0.81 HRH3 (0.59) HRH3CYP2D6HPGDLMNAALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723325-B2 5-amido-indole-2-carboxamide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-05-25 US disclosed
US-20090264418-A1 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES NETTEKOVEN MATTHIAS 2009-10-22 US disclosed
US-7601711-B2 Such as [5-(4-cyclopentyl-piperazine-1-carbonyl)-1H-indol-2-yl]-morpholin-4-yl-methanone; histamine H3-antagonists HOFFMANN-LA ROCHE INC. (US) 2009-10-13 US disclosed
EP-2010487-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007115938-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 WO disclosed
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 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-20090264418-A1 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES HRH4, HRH3, CNR2 HRH3 2/4885CYP2D6 482/4885HPGD 810/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885CYP2D6 482/4885HPGD 810/4885

“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.