SCHEMBL3628402

SCHEMBL3628402

C[C@H](Cc1cccc(C(=O)O)c1)NC[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(O)c(NC=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 13/20 0.47
ADRB1 P08588 7/20 0.47
ADRB3 P13945 4/20 0.47
CYP3A4 P08684 3/20 0.47
DRD2 P14416 2/20 0.47
SLC6A4 P31645 2/20 0.47
ADRA1A P35348 2/20 0.47
SLC6A3 Q01959 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
DRD3 P35462 2/20 0.47
PGR P06401 1/20 0.47
PTGS2 P35354 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
CASP3 P42574 1/20 0.41
CASP6 P55212 1/20 0.41
KDM5A P29375 1/20 0.40
USP2 O75604 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
SCHEMBL3628398 1.00 ADRB2 (0.47) ADRB2ADRB1ADRB3CYP3A4DRD2
SCHEMBL5584108 1.00 ADRB2 (0.47) ADRB2ADRB1ADRB3CYP3A4DRD2
SCHEMBL13807467 0.93 ADRB2 (0.47) ADRB2ADRB1ADRB3CYP3A4DRD2
SCHEMBL3629559 0.90 ADRB2 (0.47) ADRB2ADRB1ADRB3CYP3A4DRD2
SCHEMBL3629555 0.90 ADRB2 (0.47) ADRB2ADRB1ADRB3CYP3A4DRD2
SCHEMBL13807586 0.89 ADRB2 (0.47) ADRB2ADRB1ADRB3CYP3A4DRD2
SCHEMBL5584105 0.86 ADRB2 (0.41) ADRB2ADRB1ADRB3CYP3A4DRD2
SCHEMBL3619508 0.86 ADRB2 (0.41) ADRB2ADRB1ADRB3CYP3A4DRD2
SCHEMBL3619519 0.86 ADRB2 (0.41) ADRB2ADRB1ADRB3CYP3A4DRD2
SCHEMBL3619535 0.86 ADRB2 (0.45) ADRB2ADRB1ADRB3KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730103-B1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LTD (GB) 2010-05-26 EP disclosed
US-7547731-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2009-06-16 US disclosed
US-20080207689-A1 Formamide Derivatives For The Treatment of Diseases PFIZER INC 2008-08-28 US disclosed
EP-1730103-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR Pfizer Limited (GB) 2006-12-13 EP disclosed
WO-2005092840-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LIMITED (GB) 2005-10-06 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-20080207689-A1 Formamide Derivatives For The Treatment of Diseases FH, FAH, HRH4 ADRB2 751/4885ADRB1 919/4885ADRB3 941/4885

“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.