SCHEMBL3534607

SCHEMBL3534607

CCOC(=O)c1cc2cc(C(=O)N3CCCC(N(C)C)C3)ccc2n1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
PROKR1 Q8TCW9 3/20 0.40
THRB P10828 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CDK1 P06493 2/20 0.38
CDK2 P24941 2/20 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
SCHEMBL3540193 0.87 PROKR1 (0.45) PROKR1HRH3CDK1CDK2
SCHEMBL3542599 0.83 KMT2A (0.48) HPGDPROKR1HRH3NPC1RAB9A
SCHEMBL27739826 0.82 HRH3 (0.40) PROKR1HRH3KMT2ACDK1CDK2
SCHEMBL3540158 0.82 HRH3 (0.40) PROKR1HRH3KMT2ACDK1CDK2
SCHEMBL3539000 0.82 HRH3 (0.54) PROKR1HRH3KMT2ACDK1CDK2
SCHEMBL3170227 0.78 MEN1 (0.49) ALDH1A1HPGDPOLBNPC1RAB9A
SCHEMBL3536062 0.77 HRH3 (0.54) ALDH1A1HPGDPOLBTHRBHRH3
SCHEMBL3538806 0.76 HRH3 (0.56) HRH3KMT2ACDK1CDK2
SCHEMBL3160773 0.72 CHRNA7 (0.48) ALDH1A1HPGDPOLBHRH3NPC1
SCHEMBL3160356 0.71 ALDH1A1 (0.50) ALDH1A1HPGDPOLBHRH3NPC1

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 ALDH1A1 864/4885HPGD 810/4885POLB 4439/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 ALDH1A1 864/4885HPGD 810/4885POLB 4439/4885

“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.