SCHEMBL1763095

SCHEMBL1763095

COC(=O)c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)c(S(C)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.52
SCN9A Q15858 1/20 0.50
GPR119 Q8TDV5 12/20 0.49
RBP4 P02753 1/20 0.46
STS P08842 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL1763904 0.90 SLC9A1 (0.54) SLC9A1SCN9AGPR119KDM4EMAPT
SCHEMBL1039156 0.84 GPR119 (0.53) SCN9AGPR119RBP4KDM4EMAPT
SCHEMBL31615908 0.84 KDM4E (0.50) SCN9AGPR119RBP4KDM4EMAPT
SCHEMBL1763058 0.84 SLC9A1 (0.53) SLC9A1SCN9AGPR119STSKDM4E
SCHEMBL19107668 0.83 PDE4A (0.47) SCN9AGPR119RBP4KDM4EMAPT
SCHEMBL8894967 0.83 VCAM1 (0.51) SLC9A1RBP4KDM4EMAPT
SCHEMBL1763753 0.83 RBP4 (0.61) SLC9A1GPR119RBP4
SCHEMBL8896458 0.81 VCAM1 (0.49) SLC9A1KDM4E
SCHEMBL6606823 0.81 RBP4 (0.45) SCN9AGPR119RBP4STSKDM4E
SCHEMBL19284677 0.81 RBP4 (0.49) SCN9AGPR119RBP4KDM4EMAPT

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 SLC9A1 2/4885SCN9A 192/4885GPR119 703/4885

“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.