SCHEMBL7550666

SCHEMBL7550666

CC(O[C@H]1OCC[C@@H](C=O)[C@@H]1c1ccc(F)c(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.44
NR3C1 P04150 1/20 0.43
CYP3A4 P08684 1/20 0.43
FPR1 P21462 1/20 0.43
TACR3 P29371 1/20 0.43
GPR183 P32249 1/20 0.43
OPRD1 P41143 1/20 0.43
GPR65 Q8IYL9 1/20 0.43
GPR35 Q9HC97 1/20 0.43
KCNH2 Q12809 1/20 0.42
NR1I2 O75469 1/20 0.42

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
SCHEMBL6355420 1.00 TACR1 (0.44) TACR1NR3C1CYP3A4FPR1TACR3
SCHEMBL7553900 1.00 TACR1 (0.44) TACR1NR3C1CYP3A4FPR1TACR3
SCHEMBL4689468 0.92 TACR1 (0.43) TACR1NR3C1CYP3A4FPR1TACR3
SCHEMBL7547903 0.90 TACR1 (0.45) TACR1NR3C1CYP3A4FPR1TACR3
SCHEMBL7682591 0.90 TACR1 (0.45) TACR1NR3C1CYP3A4FPR1TACR3
SCHEMBL7550074 0.90 TACR1 (0.45) TACR1NR3C1CYP3A4FPR1TACR3
SCHEMBL6616379 0.90 TACR1 (0.55) TACR1NR3C1CYP3A4FPR1TACR3
SCHEMBL4689319 0.90 TACR1 (0.55) TACR1NR3C1CYP3A4FPR1TACR3
SCHEMBL6353098 0.90 TACR1 (0.55) TACR1NR3C1CYP3A4FPR1TACR3
SCHEMBL5409410 0.90 TACR1 (0.55) TACR1NR3C1CYP3A4FPR1TACR3

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-20020035132-A1 Tetrahydropyran derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2002-03-21 US claimed
US-6489343-B2 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS MERCK SHARP & DOHME LTD. (GB) 2002-12-03 US disclosed
US-20020035132-A1 Tetrahydropyran derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2002-03-21 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-20020035132-A1 Tetrahydropyran derivatives and their use as therapeutic agents GRM1, GRM2, OPRM1 TACR1 1103/4885NR3C1 154/4885CYP3A4 918/4885

“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.