SCHEMBL4255154

SCHEMBL4255154

COc1ccc(CNC(=O)Cc2ccc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.71
ADRB1 P08588 5/20 0.58
ADRB3 P13945 3/20 0.58
DRD2 P14416 2/20 0.58
PGR P06401 1/20 0.58
SLC6A4 P31645 1/20 0.58
ADRA1A P35348 1/20 0.58
PTGS2 P35354 1/20 0.58
SLC6A3 Q01959 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP2C19 P33261 1/20 0.58
DRD3 P35462 1/20 0.58

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
SCHEMBL4255159 1.00 ADRB2 (0.71) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL4253714 0.91 ADRB2 (0.72) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL4253716 0.91 ADRB2 (0.72) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL4255179 0.90 ADRB2 (0.88) ADRB2
SCHEMBL4255178 0.90 ADRB2 (0.88) ADRB2
Salmefamol SCHEMBL18458 0.89 ADRB2 (0.67) ADRB2ADRB1ADRB3DRD2PGR
Salmefamol SCHEMBL20285629 0.89 ADRB2 (0.67) ADRB2ADRB1ADRB3DRD2PGR
Salmefamol SCHEMBL30361710 0.89 ADRB2 (0.67) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL4259139 0.89 ADRB2 (0.74) ADRB2ADRB1ADRB3
SCHEMBL4259147 0.89 ADRB2 (0.74) ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1624868-B9 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2009-08-12 EP claimed
EP-1624868-B1 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2008-11-12 EP claimed
US-7268147-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2007-09-11 US claimed
US-20040229904-A1 Compounds useful for the treatment of diseases PFIZER INC 2004-11-18 US claimed
EP-1477167-A1 [(2-hydroxy-2-(4-hydroxy-3-hydroxymethylphenyl)-ethylamino)-propyl] phenyl derivatives as beta2 agonists Pfizer Limited (GB) 2004-11-17 EP claimed
EP-1624868-B9 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2009-08-12 EP disclosed
EP-1624868-B1 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2008-11-12 EP disclosed
US-7268147-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2007-09-11 US disclosed
US-20040229904-A1 Compounds useful for the treatment of diseases PFIZER INC 2004-11-18 US disclosed
EP-1477167-A1 [(2-hydroxy-2-(4-hydroxy-3-hydroxymethylphenyl)-ethylamino)-propyl] phenyl derivatives as beta2 agonists Pfizer Limited (GB) 2004-11-17 EP disclosed
US-6794116-B2 ADDITION POLYMER; PHOTOPOLYMERIZATION FUJI PHOTO FILM CO., LTD. (JP) 2004-09-21 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 (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-20040229904-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B1, CYP11B2 ADRB2 901/4885ADRB1 649/4885ADRB3 802/4885

“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.