SCHEMBL4587772

SCHEMBL4587772

O=Cc1coc(-c2cccc(OC(F)(F)F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.46
XDH P47989 1/20 0.43
S1PR1 P21453 1/20 0.42
GALR1 P47211 1/20 0.41
DHODH Q02127 2/20 0.40
ADORA1 P30542 2/20 0.39
ATR Q13535 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PDE4B Q07343 1/20 0.38
LCLAT1 Q6UWP7 1/20 0.38
ADORA2A P29274 1/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
ALDH1A1 P00352 1/20 0.38
DYRK1A Q13627 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL16399524 0.83 SCN10A (0.48) S1PR1GALR1DHODHSCN10A
SCHEMBL18003324 0.80 NOTUM (0.51) XDHALDH1A1
SCHEMBL27930829 0.78 DHODH (0.49) GRM5DHODHFFAR1FFAR4PDE4B
SCHEMBL1051067 0.76 GRM5 (0.46) GRM5XDHS1PR1GALR1DHODH
SCHEMBL15330849 0.75 MECP2 (0.45) ALDH1A1
SCHEMBL29066307 0.74 XDH (0.49) GRM5XDHADORA1ATRADORA2A
SCHEMBL16399291 0.74 ALDH1A1 (0.70) GRM5XDHSCN10AALDH1A1DYRK1A
SCHEMBL15330594 0.74 XDH (0.49) GRM5XDHGALR1DHODHADORA1
SCHEMBL4190500 0.73 GRM5 (0.67) GRM5XDHS1PR1ADORA1ATR
SCHEMBL2130891 0.73 ALDH1A1 (0.50) PDE4BALDH1A1

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-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 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-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 GRM5 46/4885XDH 2909/4885S1PR1 511/4885

“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.