SCHEMBL3620900

SCHEMBL3620900

C[C@H](Cc1cccc(C(=O)OCc2ccccc2)c1)NC[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c(NC=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.41
CYP3A4 P08684 3/20 0.41
USP2 O75604 2/20 0.41
SLC6A4 P31645 2/20 0.41
ADRA1A P35348 2/20 0.41
DRD3 P35462 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
NR1I2 O75469 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL5135381 1.00 ADRB1 (0.41) ADRB1CYP3A4USP2SLC6A4ADRA1A
SCHEMBL3620901 1.00 ADRB1 (0.41) ADRB1CYP3A4USP2SLC6A4ADRA1A
SCHEMBL13807457 0.90 ADRB2 (0.35) ADRB1CYP3A4USP2SLC6A4ADRA1A
SCHEMBL3714998 0.89 ADRB2 (0.36) ADRB1CYP3A4USP2SLC6A4ADRA1A
SCHEMBL3714996 0.89 ADRB2 (0.36) ADRB1CYP3A4USP2SLC6A4ADRA1A
SCHEMBL3627413 0.88 RAB9A (0.36) ADRB1SLC6A3CYP2D6HTR1ASLC6A2
SCHEMBL3627411 0.88 RAB9A (0.36) ADRB1SLC6A3CYP2D6HTR1ASLC6A2
SCHEMBL4386734 0.82 MRGPRX4 (0.40) ADRB1CYP3A4USP2SLC6A4ADRA1A
SCHEMBL4386737 0.82 MRGPRX4 (0.40) ADRB1CYP3A4USP2SLC6A4ADRA1A
SCHEMBL3628398 0.82 ADRB2 (0.47) ADRB1CYP3A4USP2SLC6A4ADRA1A

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 10 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-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
US-20080207689-A1 Formamide Derivatives For The Treatment of Diseases PFIZER INC 2008-08-28 US disclosed
US-7241810-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-10 US disclosed
US-7241810-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-10 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
US-20050215590-A1 Formamide derivatives for the treatment of diseases PFIZER LIMITED (GB) 2005-09-29 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-20080207689-A1 Formamide Derivatives For The Treatment of Diseases FH, FAH, HRH4 ADRB1 919/4885CYP3A4 183/4885USP2 4670/4885
US-20050215590-A1 Formamide derivatives for the treatment of diseases FH, FAH, HRH4 ADRB1 919/4885CYP3A4 183/4885USP2 4670/4885

“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.