SCHEMBL6586522

SCHEMBL6586522

COc1ccc2c(c1)CC(O)OC2(C)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.42
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KDM1A O60341 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ACHE P22303 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CYP19A1 P11511 1/20 0.35
CYP26A1 O43174 1/20 0.34

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
SCHEMBL6403193 0.78 PDK2 (0.41) PDK2DRD2DRD3ESR1ESR2
SCHEMBL6401340 0.78 PDK2 (0.41) PDK2DRD2DRD3ESR1ESR2
SCHEMBL6403380 0.78 PDK2 (0.41) PDK2DRD2DRD3ESR1ESR2
SCHEMBL7983126 0.76 SIGMAR1 (0.45)
SCHEMBL7985550 0.76 SIGMAR1 (0.45)
SCHEMBL6400509 0.76 PDK2 (0.43) PDK2DRD2DRD3ESR1ESR2
SCHEMBL6406622 0.76 PDK2 (0.43) PDK2DRD2DRD3ESR1ESR2
SCHEMBL6400531 0.76 PDK2 (0.43) PDK2DRD2DRD3ESR1ESR2
SCHEMBL6585105 0.74 ALDH1A1 (0.41) PDK2DRD2DRD3ESR1ESR2
SCHEMBL17591321 0.71 PDK2 (0.42) PDK2DRD2DRD3ESR1ESR2

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
EP-1095939-B1 Process for the preparation of piperidinylaminomethyl trifluoromethyl cyclic ether compounds PFIZER PROD INC (US) 2004-01-07 EP disclosed
US-20030236268-A1 Process for the preparation of piperidinylaminomethyl trifluoromethyl cyclic ether compounds CARON STEPHANIE (US) 2003-12-25 US disclosed
US-6486325-B1 Process for the preparation of piperidinylaminomethyl trifluoromethyl cyclic ether compounds PFIZER INC 2002-11-26 US disclosed
EP-1095939-A2 Process for the preparation of piperidinylaminomethyl trifluoromethyl cyclic ether compounds Pfizer Products Inc. (US) 2001-05-02 EP 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-20030236268-A1 Process for the preparation of piperidinylaminomethyl trifluoromethyl cyclic ether compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP1B1, PAICS PDK2 3245/4885DRD2 1182/4885DRD3 569/4885

“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.