SCHEMBL749525

SCHEMBL749525

COc1ccccc1CC(C)COC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
HTT P42858 1/20 0.47
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ANPEP P15144 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41

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
SCHEMBL12301716 1.00 HPGD (0.47) HPGDHTTMTNR1AMTNR1BKDM4E
SCHEMBL14047008 1.00 HPGD (0.47) HPGDHTTMTNR1AMTNR1BKDM4E
SCHEMBL765424 0.81 AKR1B1 (0.42) MTNR1AMTNR1BTSHRALDH1A1POLB
SCHEMBL14047007 0.81 AKR1B1 (0.42) MTNR1AMTNR1BTSHRALDH1A1POLB
SCHEMBL12301715 0.80 MAPT (0.44) KDM4ELMNASMN1; SMN2TSHRALDH1A1
SCHEMBL1013496 0.79 MTNR1A (0.42) HPGDHTTMTNR1AMTNR1BKDM4E
SCHEMBL1699372 0.78 HPGD (0.52) HPGDHTTMTNR1AMTNR1BCYP1A2
SCHEMBL14250613 0.78 MTNR1A (0.51) HPGDHTTMTNR1AMTNR1BTSHR
SCHEMBL18505011 0.77 LMNA (0.50) HPGDHTTLMNACYP1A2SMN1; SMN2
SCHEMBL765677 0.77 LMNA (0.50) HPGDHTTLMNACYP1A2SMN1; SMN2

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 6 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-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 HPGD 3468/4885HTT 1828/4885MTNR1A 768/4885

“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.