SCHEMBL3626799

SCHEMBL3626799

C[C@H](Cc1cccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1)NC[C@@H](O)c1cccc(NC=O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.69
ADRB3 P13945 7/20 0.41
ADRB1 P08588 6/20 0.41
ADRA1A P35348 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39
EPHX2 P34913 2/20 0.39
DRD2 P14416 2/20 0.39
PGR P06401 1/20 0.39
SLC6A4 P31645 1/20 0.39
PTGS2 P35354 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL3626796 1.00 ADRB2 (0.69) ADRB2ADRB3ADRB1ADRA1AADRA2A
SCHEMBL3623590 0.88 ADRB2 (0.76) ADRB2ADRB3ADRB1ADRA1ADRD2
SCHEMBL3623588 0.88 ADRB2 (0.76) ADRB2ADRB3ADRB1ADRA1ADRD2
SCHEMBL3914874 0.84 ADRB2 (0.75) ADRB2ADRB3ADRB1ADRA1ASLC6A4
SCHEMBL13840705 0.84 ADRB2 (0.75) ADRB2ADRB3ADRB1ADRA1ASLC6A4
SCHEMBL523340 0.82 ADRB2 (1.00) ADRB2
SCHEMBL523341 0.82 ADRB2 (1.00) ADRB2
SCHEMBL28572968 0.82 ADRB2 (1.00) ADRB2
Cadaverine Tartrate SCHEMBL5924425 0.79 ADRB2 (0.92) ADRB2
SCHEMBL4391569 0.77 ADRB2 (0.76) ADRB2ADRB3EPHX2

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
US-7241810-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-10 US 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 751/4885ADRB3 941/4885ADRB1 919/4885
US-20050215590-A1 Formamide derivatives for the treatment of diseases FH, FAH, HRH4 ADRB2 751/4885ADRB3 941/4885ADRB1 919/4885

“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.