SCHEMBL3573543

SCHEMBL3573543

C[C@](CC1CCN(c2c(F)cc(C#N)cc2F)CC1c1ccccc1)(OC(N)=O)c1cccc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.33
FFAR4 Q5NUL3 2/20 0.32
CCR5 P51681 1/20 0.32
TOP2A P11388 6/20 0.32
TOP2B Q02880 6/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM4 P08173 1/20 0.32
RORC P51449 2/20 0.31
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
TOP1 P11387 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL1096155 0.90 AOC3 (0.31) AOC3FFAR4CCR5TOP2ATOP2B
SCHEMBL3573544 0.80 AOC3 (0.33) AOC3CCR5TOP2ATOP2B
SCHEMBL1096395 0.77 ESR1 (0.34) FFAR4CCR5
SCHEMBL3575203 0.75 CASR (0.35) CCR5
SCHEMBL3573546 0.75 CASR (0.39)
SCHEMBL1096396 0.74 ESR1 (0.33) CCR5RORC
SCHEMBL1094613 0.72 ESR1 (0.34) FFAR4CCR5
SCHEMBL4758705 0.72 CCR5 (0.39) CCR5RORC
SCHEMBL3572894 0.70 CASR (0.35)
SCHEMBL1094614 0.70 ESR1 (0.33) CCR5DPP4DPP7

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-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 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-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 AOC3 2730/4885FFAR4 184/4885CCR5 542/4885

“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.