SCHEMBL6400002

SCHEMBL6400002

COc1ccc2c(c1)COC2C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
DRD1 P21728 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
HTR2C P28335 1/20 0.39
ABCB1 P08183 1/20 0.39
CHRNA7 P36544 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
OPRM1 P35372 1/20 0.36
CYP19A1 P11511 1/20 0.36
BCL2 P10415 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
SCHEMBL17591311 0.88 HTR2A (0.40) PTGS1PTGS2HTR2CHTR2AOPRM1
SCHEMBL17591318 0.78 HTR2A (0.42) HTR2CCHRNA7HTR2ASLC6A2SLC6A4
SCHEMBL15702940 0.76 HTR2C (0.45) ESR1ESR2DRD1HTR2CABCB1
SCHEMBL15933219 0.76 HTR2C (0.45) ESR1ESR2DRD1HTR2CABCB1
SCHEMBL24517521 0.76 ADRA2A (0.41) HTR2CHTR2ASLC6A2SLC6A4OPRM1
SCHEMBL19830056 0.72 HTR2C (0.42) ESR1ESR2DRD1HTR2CABCB1
SCHEMBL19828077 0.72 HTR2C (0.42) ESR1ESR2DRD1HTR2CABCB1
SCHEMBL19835778 0.72 HTR2C (0.42) ESR1ESR2DRD1HTR2CABCB1
SCHEMBL19828095 0.72 HTR2C (0.42) ESR1ESR2DRD1HTR2CABCB1
SCHEMBL19830057 0.72 HTR2C (0.42) ESR1ESR2DRD1HTR2CABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171354-A1 Piperidinylaminomethyl trifluoromethyl cyclic ether compounds as substance P antagonists PFIZER INC. (US) 2005-08-04 US claimed
US-20030208079-A1 Piperidinylaminomethyl trifluoromethyl cyclic ether compounds as substance P antagonists PFIZER INC. 2003-11-06 US claimed
EP-1032571-B1 PIPERIDINYLAMINOMETHYL TRIFLUOROMETHYL CYCLIC ETHER COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER (US) 2002-06-12 EP claimed
EP-1032571-A1 PIPERIDINYLAMINOMETHYL TRIFLUOROMETHYL CYCLIC ETHER COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 2000-09-06 EP claimed
WO-1999025714-A1 PIPERIDINYLAMINOMETHYL TRIFLUOROMETHYL CYCLIC ETHER COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1999-05-27 WO claimed
US-20050171354-A1 Piperidinylaminomethyl trifluoromethyl cyclic ether compounds as substance P antagonists PFIZER INC. (US) 2005-08-04 US disclosed
US-20030208079-A1 Piperidinylaminomethyl trifluoromethyl cyclic ether compounds as substance P antagonists PFIZER INC. 2003-11-06 US disclosed
EP-1032571-B1 PIPERIDINYLAMINOMETHYL TRIFLUOROMETHYL CYCLIC ETHER COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER (US) 2002-06-12 EP disclosed
EP-1032571-A1 PIPERIDINYLAMINOMETHYL TRIFLUOROMETHYL CYCLIC ETHER COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 2000-09-06 EP disclosed
WO-1999025714-A1 PIPERIDINYLAMINOMETHYL TRIFLUOROMETHYL CYCLIC ETHER COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1999-05-27 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 (2 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-20050171354-A1 Piperidinylaminomethyl trifluoromethyl cyclic ether compounds as substance P antagonists HRH2, TACR1, HRH4 ESR1 497/4885ESR2 674/4885DRD1 1122/4885
US-20030208079-A1 Piperidinylaminomethyl trifluoromethyl cyclic ether compounds as substance P antagonists TACR1, HRH2, GRPR ESR1 989/4885ESR2 720/4885DRD1 878/4885

“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.