SCHEMBL3620923

SCHEMBL3620923

C[C@H](Cc1cccc(CC(=O)NCc2ccc(N(C)C)cc2)c1)NC[C@H](O)c1ccc(O)c(NC=O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.66
ADRB1 P08588 5/20 0.56
ADRB3 P13945 3/20 0.56
DRD2 P14416 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
TSHR P16473 2/20 0.56
MAPK1 P28482 2/20 0.56
PGR P06401 1/20 0.56
SLC6A4 P31645 1/20 0.56
ADRA1A P35348 1/20 0.56
PTGS2 P35354 1/20 0.56
SLC6A3 Q01959 1/20 0.56
CYP2C19 P33261 1/20 0.56
DRD3 P35462 1/20 0.56
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL3620927 1.00 ADRB2 (0.66) ADRB2ADRB1ADRB3DRD2CYP1A2
SCHEMBL3626542 0.90 ADRB2 (0.68) ADRB2ADRB1ADRB3DRD2CYP1A2
SCHEMBL3626539 0.90 ADRB2 (0.68) ADRB2ADRB1ADRB3DRD2CYP1A2
SCHEMBL3618217 0.89 ADRB2 (0.66) ADRB2ADRB1ADRB3DRD2CYP1A2
SCHEMBL3618214 0.89 ADRB2 (0.66) ADRB2ADRB1ADRB3DRD2CYP1A2
SCHEMBL3621001 0.88 ADRB2 (0.65) ADRB2ADRB1ADRB3DRD2CYP1A2
SCHEMBL3620995 0.88 ADRB2 (0.65) ADRB2ADRB1ADRB3DRD2CYP1A2
SCHEMBL5034552 0.88 ADRB2 (0.85) ADRB2ADRB3
SCHEMBL5034550 0.88 ADRB2 (0.85) ADRB2ADRB3
SCHEMBL3625140 0.87 ADRB2 (0.68) ADRB2ADRB1ADRB3DRD2CYP1A2

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 16 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 claimed
JP-2007530524-A 2007-11-01 JP claimed
EP-1730103-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR Pfizer Limited (GB) 2006-12-13 EP claimed
WO-2005092840-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LIMITED (GB) 2005-10-06 WO claimed
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-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-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 ADRB2 751/4885ADRB1 919/4885ADRB3 941/4885
US-20050215590-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.