SCHEMBL15219154

SCHEMBL15219154

FC(F)(F)OCCCN1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.46
HRH2 P25021 3/20 0.42
HRH1 P35367 3/20 0.42
HRH3 Q9Y5N1 2/20 0.42
SIGMAR1 Q99720 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 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
SCHEMBL13506097 0.88 SIGMAR1 (0.42) CXCR4HRH2HRH1HRH3SIGMAR1
Hydrochloric Acid SCHEMBL28936993 0.86 SIGMAR1 (0.41) CXCR4HRH2HRH1HRH3SIGMAR1
SCHEMBL15217036 0.81 CXCR4 (0.46) CXCR4HRH2HRH1HRH3SIGMAR1
SCHEMBL15495113 0.78 ALDH1A1 (0.44) HRH3SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL15256850 0.77 CXCR4 (0.53) CXCR4HRH2HRH1HRH3SIGMAR1
SCHEMBL27346113 0.75 CXCR4 (0.52) CXCR4HRH2HRH1HRH3SIGMAR1
SCHEMBL13801835 0.74 CXCR4 (0.50) CXCR4HRH2HRH1HRH3SIGMAR1
SCHEMBL28389572 0.74 CXCR4 (0.50) CXCR4HRH2HRH1HRH3SIGMAR1
SCHEMBL584267 0.74 MEN1 (0.51) CXCR4HRH2HRH1HRH3SIGMAR1
SCHEMBL8614873 0.73 CXCR4 (0.70) CXCR4HRH2HRH1HRH3SIGMAR1

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
EP-2615089-B1 Pyrazoloquinoline compounds ASTELLAS PHARMA INC (JP) 2016-04-27 EP disclosed
US-8822448-B2 Pyrazoloquinoline compound ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-08-29 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-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND PDE9A, PDE5A, PDE2A CXCR4 3555/4885HRH2 2709/4885HRH1 3372/4885

“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.