SCHEMBL3541817

SCHEMBL3541817

CC(C)n1c(C(=O)N2CCC(F)(F)CC2)cc2cc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.53
CYP2D6 P10635 1/20 0.53
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CNR2 P34972 1/20 0.41
HDAC4 P56524 1/20 0.40
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
CRBN Q96SW2 1/20 0.38
JAK1 P23458 1/20 0.38
ACACB O00763 4/20 0.38

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
SCHEMBL3160789 0.88 KMT2A (0.50) KMT2AMEN1CNR2
SCHEMBL3544898 0.88 KMT2A (0.50) HRH3CYP2D6KMT2AMEN1CNR2
SCHEMBL3169780 0.88 KMT2A (0.50) HRH3CYP2D6KMT2AMEN1CNR2
SCHEMBL3174857 0.88 KMT2A (0.54) HRH3CYP2D6KMT2AMEN1CNR2
SCHEMBL3546171 0.87 KMT2A (0.49) HRH3CYP2D6KMT2AMEN1CNR2
SCHEMBL3160554 0.86 KMT2A (0.48) HRH3CYP2D6KMT2AMEN1CNR2
SCHEMBL3541236 0.86 HRH3 (0.62) HRH3CYP2D6
SCHEMBL3170227 0.84 MEN1 (0.49) KMT2AMEN1CNR2ABL1RIN1
SCHEMBL3543062 0.83 HRH3 (0.66) HRH3CYP2D6KMT2A
SCHEMBL3534123 0.80 HRH3 (0.58) 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 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 482/4885KMT2A 512/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885CYP2D6 482/4885KMT2A 512/4885

“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.