SCHEMBL2948368

SCHEMBL2948368

CCOC(=O)c1cc2cc(NC3CCN(C4CCCC4)CC3)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 6/20 0.56
▸ MMP2 P08253 5/20 0.54
▸ RAB9A P51151 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ HPGD P15428 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ NPC1 O15118 3/20 0.48
▸ HRH3 Q9Y5N1 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MMP14 P50281 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ATM Q13315 1/20 0.45

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
SCHEMBL2948163 0.96 MMP13 (0.58) MMP13MMP2RAB9AKDM4EALDH1A1
SCHEMBL2944272 0.87 MMP13 (0.59) MMP13MMP2RAB9AKDM4EALDH1A1
SCHEMBL2949503 0.85 MMP13 (0.57) MMP13MMP2RAB9AKDM4EALDH1A1
SCHEMBL2943709 0.85 HRH3 (0.66) MMP13MMP2RAB9AKDM4EALDH1A1
SCHEMBL2949966 0.84 HRH3 (0.51) KDM4EALDH1A1HPGDHSD17B10HRH3
SCHEMBL2951278 0.84 MMP13 (0.56) MMP13MMP2RAB9AKDM4EALDH1A1
SCHEMBL2951713 0.82 HRH3 (0.58) MMP13MMP2RAB9AKDM4EALDH1A1
SCHEMBL3537292 0.81 HRH3 (0.57) MMP13MMP2RAB9AKDM4EALDH1A1
SCHEMBL2950369 0.80 HRH3 (0.53) KDM4EALDH1A1HPGDHSD17B10HRH3
SCHEMBL2951373 0.80 MMP13 (0.60) MMP13MMP2RAB9AKDM4EALDH1A1

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 MMP13 4255/4885MMP2 4466/4885RAB9A 1854/4885
US-20060160855-A1 5-Aminoindole derivatives as H3 inverse agonists HRH3, HTR5A, HRH4 MMP13 4255/4885MMP2 4466/4885RAB9A 1854/4885

“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.

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