SCHEMBL6437666

SCHEMBL6437666

CC1Cc2cc(OC(F)(F)F)ccc2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
FFAR4 Q5NUL3 5/20 0.43
FFAR1 O14842 2/20 0.43
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRM2 Q14416 3/20 0.38
HRH3 Q9Y5N1 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
HCRTR2 O43614 1/20 0.37
GPR3 P46089 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GABRA1 P14867 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
SCHEMBL10282882 0.81 FFAR4 (0.51) FFAR4FFAR1PTGS1PTGS2HRH3
SCHEMBL13799417 0.80 HRH3 (0.54) TDP1RAB9ANPC1ALDH1A1GAA
SCHEMBL4016235 0.78 TDP1 (0.50) TDP1RAB9ANPC1PTGS2ALDH1A1
SCHEMBL15740415 0.76 TDP1 (0.51) TDP1RAB9ANPC1ALDH1A1GAA
SCHEMBL15727613 0.76 TDP1 (0.51) TDP1RAB9ANPC1ALDH1A1GAA
SCHEMBL15724653 0.73 TDP1 (0.56) TDP1RAB9ANPC1ALDH1A1GAA
SCHEMBL15749929 0.73 TDP1 (0.56) TDP1RAB9ANPC1ALDH1A1GAA
SCHEMBL10381964 0.73 LIPE (0.50)
SCHEMBL10382411 0.73 FFAR1 (0.49) TDP1FFAR1RAB9A
SCHEMBL6410913 0.73 PARP1 (0.37) PTGS1PTGS2GRM2

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-1551846-A1 AZABICYCLIC SPIROETHER DERIVATIVES AS RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2005-07-13 EP disclosed
WO-2004031191-A1 AZABICYCLIC SPIROETHER DERIVATIVES AS RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2004-04-15 WO disclosed
US-6479486-B2 ANTIDEPRESSANTS, ANALGESICS MERCK SHARP & DOHME LTD. (GB) 2002-11-12 US disclosed
US-20020147207-A1 AZABICYCLIC SPIROETHER DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2002-10-10 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-20020147207-A1 AZABICYCLIC SPIROETHER DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS GLRA1, GLRA2, CCKBR TDP1 2917/4885FFAR4 1810/4885FFAR1 1593/4885

“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.