SCHEMBL3525548

SCHEMBL3525548

c1ccc(Oc2ccc3c(c2)NCCC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
PPARG P37231 3/20 0.44
PPARD Q03181 3/20 0.44
PPARA Q07869 3/20 0.44
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
EIF2AK2 P19525 1/20 0.39
LTA4H P09960 2/20 0.39
TSHR P16473 2/20 0.39
MAPK14 Q16539 1/20 0.39
REN P00797 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
ADAM17 P78536 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
SCHEMBL5469125 0.95 HRH3 (0.45) HRH3PPARGPPARDPPARAMAOA
SCHEMBL4714955 0.90 MAOB (0.44) HRH3MAOAMAOBNISCHEIF2AK2
SCHEMBL21635492 0.81 EIF2AK2 (0.47) HRH3PPARGPPARDPPARAMAOA
SCHEMBL8149925 0.79 PPARG (0.47) PPARGPPARDPPARA
SCHEMBL30471897 0.78 HRH3 (0.52) HRH3PPARGPPARDPPARA
SCHEMBL1395133 0.78 HRH3 (0.52) HRH3PPARGPPARDPPARA
SCHEMBL6200523 0.77 EIF2AK2 (0.58) MAOAMAOBMAPTEIF2AK2MAPK14
SCHEMBL4715922 0.77 DRD2 (0.49) HRH3MAOAMAOBNISCHLTA4H
SCHEMBL5211642 0.76 MAOB (0.61) HRH3PPARGPPARDPPARAMAOA
SCHEMBL21758061 0.75 HRH3 (0.62) HRH3MAOAMAOBLTA4HTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858652-B2 Substituted 4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-7858652-B2 Substituted 4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-7858652-B2 Substituted 4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
EP-2084152-A2 SUBSTITUTED 4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-08-05 EP disclosed
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
WO-2008058867-A2 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 WO disclosed
WO-2008058867-A2 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 WO 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 (1 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-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES TAAR1, TAAR5, TACR1 HRH3 62/4885PPARG 1676/4885PPARD 2814/4885

“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.