SCHEMBL2958563

SCHEMBL2958563

CCOc1cc(C=O)cc(OCc2ccccc2)c1I

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.54
LMNA P02545 3/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 3/20 0.50
MAPK1 P28482 2/20 0.50
NTSR1 P30989 2/20 0.50
HTR1A P08908 2/20 0.50
ADRA1D P25100 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA1B P35368 2/20 0.50
HTT P42858 2/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL1121574 0.84 ALDH1A1 (0.56) TACR2LMNAKDM4EALDH1A1L3MBTL1
SCHEMBL1609108 0.84 TACR2 (0.75) TACR2LMNAKDM4EALDH1A1L3MBTL1
SCHEMBL662145 0.84 TACR2 (0.75) TACR2LMNAKDM4EALDH1A1L3MBTL1
SCHEMBL16055528 0.80 KMT2A (0.62) TACR2LMNAKDM4EALDH1A1L3MBTL1
SCHEMBL6555157 0.79 MRGPRX4 (0.49) LMNAKDM4EALDH1A1L3MBTL1MAPT
SCHEMBL2954865 0.79 KDM4E (0.48) TACR2LMNAKDM4EALDH1A1L3MBTL1
SCHEMBL16052363 0.79 TACR2 (0.67) TACR2LMNAKDM4EALDH1A1L3MBTL1
SCHEMBL4045055 0.79 MAOA (0.57) TACR2LMNAKDM4EALDH1A1L3MBTL1
SCHEMBL1748595 0.78 MAOB (0.65) KDM4EALDH1A1PKMMAOAMAOB
SCHEMBL30822591 0.78 MAOA (0.56) TACR2LMNAKDM4EALDH1A1L3MBTL1

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-7772253-B2 Amide derivatives as somatostatin receptor 5 antagonists HOFFMAN-LA ROCHE INC. (US) 2010-08-10 US disclosed
EP-1893603-B1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-10-14 EP disclosed
EP-1893603-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2008-03-05 EP disclosed
WO-2006128803-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 WO disclosed
US-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 US disclosed
EP-1230224-B1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2004-12-29 EP disclosed
US-6821980-B1 Substituted 5-benzyl-2,4-diaminopyrimidines BASILEA PHARMACEUTICA AG (CH) 2004-11-23 US disclosed
EP-1230224-A1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-14 EP disclosed
WO-2001032633-A1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2001-05-10 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-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists SSTR5, SSTR3, SSTR1 TACR2 40/4885LMNA 3667/4885KDM4E 3383/4885

“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.