SCHEMBL1764097

SCHEMBL1764097

CC(C)(C)OC(=O)N1CC=C(c2ccc(C(=O)O)cc2C(F)(F)F)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.42
PDK4 Q16654 1/20 0.41
RORC P51449 3/20 0.41
SRD5A2 P31213 1/20 0.39
ADH5 P11766 1/20 0.38
ELANE P08246 2/20 0.38
GRM5 P41594 3/20 0.37
GRM1 Q13255 3/20 0.37
KMT2A Q03164 2/20 0.37
P2RY14 Q15391 1/20 0.37
MEN1 O00255 1/20 0.37
NAMPT P43490 1/20 0.37
HTR6 P50406 1/20 0.37
MAPT P10636 1/20 0.36
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL1764228 0.89 PDK4 (0.52) WDR5PDK4RORCGRM5GRM1
SCHEMBL34465791 0.85 NR1H2 (0.47) WDR5PDK4ELANEGRM5GRM1
SCHEMBL1764101 0.83 ELANE (0.51) WDR5PDK4ELANE
SCHEMBL31701876 0.80 PDK4 (0.49) WDR5PDK4GRM5GRM1NAMPT
SCHEMBL1763861 0.79 PDK4 (0.50) WDR5PDK4GRM5GRM1NAMPT
SCHEMBL27007919 0.78 SOS1 (0.42) WDR5PDK4ELANEGRM5GRM1
SCHEMBL30745989 0.78 SOS1 (0.42) WDR5PDK4ELANEGRM5GRM1
SCHEMBL27007900 0.77 SOS1 (0.40) WDR5PDK4ELANEGRM5GRM1
SCHEMBL15011298 0.76 ELANE (0.43) WDR5PDK4RORCELANEGRM5
SCHEMBL29813115 0.76 GRM1 (0.54) WDR5PDK4GRM5GRM1NAMPT

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 WDR5 4243/4885PDK4 717/4885RORC 4239/4885

“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.