SCHEMBL4352441

SCHEMBL4352441

CCC(C(=O)O)N1C(=O)COc2ccc(OC(F)(F)F)cc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HRH3 Q9Y5N1 5/20 0.38
KCNH2 Q12809 1/20 0.38
USP2 O75604 1/20 0.38
CHRM5 P08912 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
KMO O15229 1/20 0.35

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
SCHEMBL2950968 0.86 HTT (0.51) HTTALDH1A1TSHRUSP2PTGS1
SCHEMBL2953372 0.77 HTT (0.62) HTTALDH1A1TSHRKCNH2USP2
SCHEMBL2951260 0.77 HTT (0.44) HTTALDH1A1TSHRPTGS1
SCHEMBL2954936 0.75 HTT (0.37) HTTKMO
SCHEMBL13108719 0.75 HTT (0.68) HTTALDH1A1TSHRUSP2
SCHEMBL3108623 0.74 CYP3A4 (0.39) HTTALDH1A1TSHRUSP2KMO
SCHEMBL3033382 0.73 HTT (0.51) HTTALDH1A1TSHR
SCHEMBL9103530 0.68 MCL1 (0.38) CHRM5FFAR4
SCHEMBL15797310 0.68 HTT (0.51) HTTALDH1A1TSHRUSP2
SCHEMBL922179 0.68 KCNH2 (0.63) KCNH2CHRM5

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-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION 2009-11-05 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-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 HTT 527/4885ALDH1A1 4201/4885TSHR 2055/4885

“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.