SCHEMBL1763456

SCHEMBL1763456

COC(=O)c1ccc(OCc2ccccc2)cc1OO

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.57
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
PARP15 Q460N3 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PARP10 Q53GL7 1/20 0.48
NR4A2 P43354 2/20 0.47
MAOA P21397 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47

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
SCHEMBL3962253 0.93 MAOB (0.61) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3191667 0.90 MAOB (0.58) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21924287 0.90 MAOB (0.58) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3201763 0.89 MAOB (0.57) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7907439 0.88 MAOB (0.56) MAOBNPC1RAB9ASMN1; SMN2FFAR4
SCHEMBL21924210 0.87 MAOB (0.54) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7901066 0.87 MAOB (0.54) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL11557673 0.86 KDM4E (0.60) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7910894 0.86 FFAR4 (0.65) MAOBLMNAFFAR4KMT2ANR4A2
SCHEMBL6042849 0.86 NPC1 (0.58) MAOBNPC1RAB9ASMN1; SMN2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
EP-2321274-A1 PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2011-05-18 EP disclosed
WO-2010005783-A1 PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 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-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors NHERF1, SLC9A1, SLC9A5 MAOB 1749/4885NPC1 236/4885RAB9A 698/4885

“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.