SCHEMBL9970989

SCHEMBL9970989

CC(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.67
ADRB1 P08588 12/20 0.67
KDM4E B2RXH2 2/20 0.65
MEN1 O00255 1/20 0.65
LMNA P02545 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
DRD2 P14416 1/20 0.65
TSHR P16473 1/20 0.65
CYP2C19 P33261 1/20 0.65
PTGS2 P35354 1/20 0.65
KMT2A Q03164 1/20 0.65
GAA P10253 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HIF1A Q16665 1/20 0.63

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
Hydrochloric Acid SCHEMBL11448321 0.99 ADRB2 (0.69) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL4875051 0.89 ADRB2 (0.70) ADRB2ADRB1
SCHEMBL13360727 0.86 ADRB2 (0.66) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL14239433 0.86 ADRB2 (0.66) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL11733721 0.86 ADRB2 (0.67) ADRB2ADRB1
SCHEMBL20730387 0.84 ADRB2 (0.66) ADRB2ADRB1
SCHEMBL14684192 0.84 ADRB2 (0.66) ADRB2ADRB1
SCHEMBL18993233 0.84 ADRB2 (0.78) ADRB2ADRB1
SCHEMBL5457160 0.84 ADRB2 (0.78) ADRB2ADRB1
SCHEMBL14290919 0.83 ADRB2 (0.70) ADRB2ADRB1KDM4EMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562843-B2 Preparation of (R,R)-fenoterol and (R,R)- or (R,S)-fenoterol analogues and their use in treating congestive heart failure THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-02-18 US disclosed
US-20190248732-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVIC (US) 2019-08-15 US disclosed
US-20170081276-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2017-03-23 US disclosed
US-9522871-B2 Preparation of (R,R)-fenoterol and (R,R)-or (R,S)-fenoterol analogues and their use in treating congestive heart failure THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-12-20 US disclosed
EP-2064174-B1 PREPARATION OF (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE US GOV HEALTH & HUMAN SERV (US) 2016-10-26 EP disclosed
US-20120157543-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE Services, National Institutes of Health 2012-06-21 US disclosed
US-20100168245-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2010-07-01 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 (5 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-10562843-B2 Preparation of (R,R)-fenoterol and (R,R)- or (R,S)-fenoterol analogues and their use in treating congestive heart failure ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885KDM4E 4568/4885
US-20120157543-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885KDM4E 4568/4885
US-20170081276-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885KDM4E 4568/4885
US-20100168245-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885KDM4E 4568/4885
US-20190248732-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885KDM4E 4568/4885

“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.