SCHEMBL765428

SCHEMBL765428

C[C@@H](O)COc1cnccc1I

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
GSK3B P49841 1/20 0.36
NAMPT P43490 1/20 0.33
ACHE P22303 1/20 0.32
CNR2 P34972 2/20 0.32
MELK Q14680 1/20 0.32
CYP17A1 P05093 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CYP19A1 P11511 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL5699994 0.77 CA12 (0.49) KDM4EALDH1A1SMN1; SMN2CA12CA1
SCHEMBL31616103 0.75 LMNA (0.55) LMNACYP2C19KDM4EALDH1A1SMN1; SMN2
SCHEMBL91230 0.75 LMNA (0.55) LMNACYP2C19KDM4EALDH1A1SMN1; SMN2
SCHEMBL764885 0.75 LMNA (0.55) LMNACYP2C19KDM4EALDH1A1SMN1; SMN2
SCHEMBL31254056 0.75 LMNA (0.55) LMNACYP2C19KDM4EALDH1A1SMN1; SMN2
SCHEMBL13392160 0.74 CNR2 (0.37) LMNACYP2C19ALDH1A1SMN1; SMN2CNR2
SCHEMBL764171 0.74 CHRNB4 (0.33) CYP2C19CA12CA1CA2CA9
SCHEMBL31637952 0.74 LOX (0.46) ALDH1A1GSK3BIDO1
SCHEMBL10150889 0.73 CYP2A6 (0.36) LMNACYP2C19MAPTGSK3B
SCHEMBL595652 0.72 LMNA (0.36) LMNACYP2C19

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 LMNA 4810/4885CYP2C19 898/4885KDM4E 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.