SCHEMBL5951111

SCHEMBL5951111

O=C(O)CCc1ccc2c(c1)CCC[C@H]2NC(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.49
DRD2 P14416 2/20 0.49
KCNH2 Q12809 2/20 0.49
HTR2A P28223 1/20 0.49
BDKRB1 P46663 8/20 0.44
EPHX2 P34913 2/20 0.41
FFAR1 O14842 1/20 0.41
HTT P42858 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40

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
SCHEMBL5951113 1.00 HTR1A (0.49) HTR1ADRD2KCNH2HTR2ABDKRB1
SCHEMBL3535129 0.86 HTR1A (0.47) HTR1ADRD2KCNH2HTR2ABDKRB1
SCHEMBL3535131 0.86 HTR1A (0.47) HTR1ADRD2KCNH2HTR2ABDKRB1
SCHEMBL3534842 0.80 BDKRB1 (0.44) HTR1ADRD2KCNH2HTR2ABDKRB1
SCHEMBL3534846 0.80 BDKRB1 (0.44) HTR1ADRD2KCNH2HTR2ABDKRB1
SCHEMBL22868047 0.78 LMNA (0.53) BDKRB1HTTTAS1R3TAS1R1TAS1R2
SCHEMBL29741228 0.78 KMT2A (0.50) BDKRB1HTTTAS1R3TAS1R1TAS1R2
SCHEMBL5951102 0.75 BDKRB1 (0.42) BDKRB1HTTTAS1R3TAS1R1TAS1R2
SCHEMBL5951106 0.75 BDKRB1 (0.42) BDKRB1HTTTAS1R3TAS1R1TAS1R2
SCHEMBL15006999 0.75 HTT (0.63) HTTTAS1R3TAS1R1TAS1R2

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-20060111347-A1 Substituted sulfones and methods of use AMGEN INC. (US) 2006-05-25 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-20060111347-A1 Substituted sulfones and methods of use SULT2A1, STS, SULT1A1 HTR1A 2883/4885DRD2 4207/4885KCNH2 2255/4885

“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.