SCHEMBL765679

SCHEMBL765679

C[C@H](CO)Cc1ccccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.48
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2D6 P10635 3/20 0.43
TSHR P16473 2/20 0.43
HIF1A Q16665 1/20 0.43
TRPA1 O75762 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
AKR1B1 P15121 1/20 0.42
IDO1 P14902 2/20 0.41
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CYP3A4 P08684 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 2/20 0.40
CA9 Q16790 1/20 0.39

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
SCHEMBL28256228 1.00 HSPA5 (0.48) HSPA5POLBMAPK1CYP2D6TSHR
SCHEMBL23153080 0.83 TSHR (0.50) HSPA5POLBMAPK1CYP2D6TSHR
SCHEMBL3959615 0.83 TSHR (0.50) HSPA5POLBMAPK1CYP2D6TSHR
SCHEMBL12658152 0.82 TAAR1 (0.50) HSPA5POLBMAPK1CYP2D6TSHR
SCHEMBL565137 0.81 HSPA5 (0.50) HSPA5POLBMAPK1CYP2D6TSHR
SCHEMBL108067 0.80 GABRA1 (0.64) HSPA5POLBMAPK1CYP2D6TSHR
SCHEMBL17227907 0.80 POLB (0.58) HSPA5POLBMAPK1CYP2D6TRPA1
SCHEMBL8492141 0.80 POLB (0.58) HSPA5POLBMAPK1CYP2D6TRPA1
SCHEMBL13010804 0.80 HSPA5 (0.45) HSPA5POLBMAPK1CYP2D6TSHR
SCHEMBL6535431 0.80 HSPA5 (0.45) HSPA5POLBMAPK1CYP2D6TSHR

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 4 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

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 HSPA5 4500/4885POLB 2497/4885MAPK1 915/4885

“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.