SCHEMBL1764101

SCHEMBL1764101

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.51
WDR5 P61964 2/20 0.41
GPR119 Q8TDV5 6/20 0.41
PDK4 Q16654 1/20 0.40
CYP2C9 P11712 1/20 0.39
ALK Q9UM73 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38

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
SCHEMBL1763322 0.90 ELANE (0.54) ELANEWDR5PDK4
SCHEMBL34465791 0.84 NR1H2 (0.47) ELANEWDR5GPR119PDK4
SCHEMBL1764097 0.83 WDR5 (0.42) ELANEWDR5PDK4
SCHEMBL31420555 0.79 GPR119 (0.51) ELANEGPR119PDK4TBK1
SCHEMBL16879141 0.79 AR (0.46) ELANEGPR119CYP2C9TBK1
SCHEMBL5320102 0.77 PDK4 (0.53) ELANEGPR119PDK4
SCHEMBL30745989 0.76 SOS1 (0.42) ELANEWDR5PDK4
SCHEMBL27007919 0.76 SOS1 (0.42) ELANEWDR5PDK4
SCHEMBL25369348 0.76 GPR119 (0.55) GPR119
SCHEMBL20142327 0.75 PDK4 (0.52) ELANEGPR119PDK4TBK1

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 1 patent. 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

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 ELANE 1014/4885WDR5 4243/4885GPR119 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.