SCHEMBL745791

SCHEMBL745791

CC(O)COc1ccccc1CC(C)CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.49
LMNA P02545 4/20 0.49
KDM4E B2RXH2 3/20 0.49
AGTR1 P30556 1/20 0.49
ADRB2 P07550 7/20 0.46
ADRB1 P08588 7/20 0.46
HTR1A P08908 1/20 0.44
ADRB3 P13945 1/20 0.44
ADRA2C P18825 1/20 0.44
SLC6A2 P23975 1/20 0.44
BDKRB2 P30411 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL13410928 1.00 CYP1A2 (0.49) CYP1A2LMNAKDM4EAGTR1ADRB2
SCHEMBL13392151 0.87 LMNA (0.47) CYP1A2LMNAKDM4EADRB2ADRB1
SCHEMBL750165 0.86 ALOX15 (0.48) CYP1A2LMNAKDM4EADRB2ADRB1
SCHEMBL764155 0.80 ADRB2 (0.46) CYP1A2LMNAKDM4EADRB2ADRB1
SCHEMBL765677 0.80 LMNA (0.50) CYP1A2LMNAAGTR1TSHRMEN1
SCHEMBL12310073 0.80 LMNA (0.53) CYP1A2LMNAADRB2ADRB1ADRB3
SCHEMBL18505011 0.80 LMNA (0.50) CYP1A2LMNAAGTR1TSHRMEN1
SCHEMBL748982 0.80 LMNA (0.50) CYP1A2LMNAAGTR1TSHRMEN1
SCHEMBL11303021 0.78 LMNA (0.65) CYP1A2LMNAKDM4EAGTR1ADRB2
SCHEMBL27736604 0.78 PTGER1 (0.49) CYP1A2LMNAKDM4EADRB2ADRB1

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
US-9133235-B2 Macrocyclic antagonists of the motilin receptor for treatment of gastrointestinal dysmotility disorders OCERA THERAPEUTICS, INC. (US) 2015-09-15 US disclosed
EP-2431380-A2 Macrocyclic antagonist of the motilin receptor for treatment of gastrointestinal dysmotility disorders Tranzyme Pharma, Inc. (US) 2012-03-21 EP disclosed
US-20100093720-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) 2010-04-15 US disclosed
EP-2054429-A2 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS Tranzyme Pharma, Inc. (US) 2009-05-06 EP disclosed
WO-2008033328-A2 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS TRANZYME PHARMA, INC. (US) 2008-03-20 WO 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-20100093720-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS MLNR, GIPR, GPR39 CYP1A2 2395/4885LMNA 4810/4885KDM4E 4739/4885

“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.