SCHEMBL750165

SCHEMBL750165

CC(O)COc1ccccc1CC(C)CN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
LMNA P02545 4/20 0.46
ADRB2 P07550 7/20 0.45
ADRB1 P08588 7/20 0.45
NR2E1 Q9Y466 1/20 0.44
CYP1A2 P05177 2/20 0.43
HTR1A P08908 1/20 0.43
ADRB3 P13945 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A2 P23975 1/20 0.43
BDKRB2 P30411 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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 0.86 CYP1A2 (0.49) LMNAADRB2ADRB1CYP1A2HTR1A
SCHEMBL13392151 0.86 LMNA (0.47) ALOX15LMNAADRB2ADRB1CYP1A2
SCHEMBL745791 0.86 CYP1A2 (0.49) LMNAADRB2ADRB1CYP1A2HTR1A
SCHEMBL26921471 0.83 LMNA (0.52) ALOX15LMNAADRB2ADRB1CYP1A2
SCHEMBL764219 0.81 HPGD (0.40) ALOX15LMNAADRB2KDM4ESMN1; SMN2
SCHEMBL12658054 0.81 HPGD (0.40) ALOX15LMNAADRB2KDM4ESMN1; SMN2
SCHEMBL764155 0.79 ADRB2 (0.46) LMNAADRB2ADRB1CYP1A2HTR1A
SCHEMBL12310073 0.78 LMNA (0.53) LMNAADRB2ADRB1CYP1A2ADRB3
SCHEMBL6014412 0.78 TAAR1 (0.56) LMNASLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL764884 0.78 ADRB2 (0.55) LMNAADRB2ADRB1

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-9133235-B2 Macrocyclic antagonists of the motilin receptor for treatment of gastrointestinal dysmotility disorders OCERA THERAPEUTICS, INC. (US) 2015-09-15 US disclosed
EP-2054429-B1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS TRANZYME PHARMA INC (CA) 2013-11-06 EP disclosed
EP-2054429-B1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS TRANZYME PHARMA INC (CA) 2013-11-06 EP 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 ALOX15 3731/4885LMNA 4810/4885ADRB2 873/4885

“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.