SCHEMBL2944449

SCHEMBL2944449

CCOC(=O)c1cc2cc(NC3CCN(Cc4ccccc4)C3)ccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.61
MAOA P21397 1/20 0.61
ACHE P22303 1/20 0.61
MAOB P27338 1/20 0.61
ROCK2 O75116 12/20 0.57
CCR2 P41597 5/20 0.57
ROCK1 Q13464 5/20 0.57
MMP13 P45452 2/20 0.52
MMP2 P08253 1/20 0.50
ITK Q08881 1/20 0.50
MAPK1 P28482 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL2944272 0.85 MMP13 (0.59) BCHEMAOAACHEMAOBMMP13
SCHEMBL2951278 0.82 MMP13 (0.56) BCHEMAOAACHEMAOBMMP13
SCHEMBL1552998 0.82 BCHE (0.70) BCHEMAOAACHEMAOBROCK2
SCHEMBL1552995 0.82 BCHE (0.70) BCHEMAOAACHEMAOBROCK2
SCHEMBL2951713 0.81 HRH3 (0.58) BCHEMAOAACHEMAOBMMP13
SCHEMBL15642600 0.81 BCHE (0.61) BCHEMAOAACHEMAOBMMP13
SCHEMBL2948163 0.80 MMP13 (0.58) BCHEMAOAACHEMAOBMMP13
SCHEMBL15642366 0.80 BCHE (0.60) BCHEMAOAACHEMAOBMMP13
SCHEMBL2943709 0.79 HRH3 (0.66) MMP13MMP2HRH3KDM4EALDH1A1
SCHEMBL2949503 0.79 MMP13 (0.57) BCHEMAOAACHEMAOBMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754736-B2 5-aminoindole derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2010-07-13 US disclosed
EP-1841734-B1 5-AMINOINDOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-29 EP disclosed
US-20090069311-A1 5-AMINOINDOLE DERIVATIVES AS H3 INVERSE AGONISTS NETTEKOVEN MATTHIAS HEINRICH 2009-03-12 US disclosed
US-7456174-B2 5-aminoindole derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2008-11-25 US disclosed
EP-1841734-A2 5-AMINOINDOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-10-10 EP disclosed
WO-2006077024-A2 5-AMINOINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 WO disclosed
US-20060160855-A1 5-Aminoindole derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. 2006-07-20 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-20090069311-A1 5-AMINOINDOLE DERIVATIVES AS H3 INVERSE AGONISTS HRH3, HTR5A, HRH4 BCHE 1269/4885MAOA 365/4885ACHE 905/4885
US-20060160855-A1 5-Aminoindole derivatives as H3 inverse agonists HRH3, HTR5A, HRH4 BCHE 1269/4885MAOA 365/4885ACHE 905/4885

“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.