SCHEMBL4489186

SCHEMBL4489186

[O]CCCN1CCC(F)(F)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.34
OPRM1 P35372 2/20 0.34
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
SLC6A4 P31645 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
KIF11 P52732 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
SCHEMBL4492805 0.87 HRH3 (0.42) HRH3OPRM1S1PR1S1PR3S1PR5
SCHEMBL1952683 0.87 CYP3A4 (0.31) OPRM1
SCHEMBL14967991 0.82 NOS3 (0.37) NOS3NOS1NOS2
SCHEMBL14921181 0.81 HRH3 (0.35) HRH3OPRM1S1PR4S1PR1S1PR3
SCHEMBL14737746 0.79 HRH3 (0.38) HRH3OPRM1S1PR4S1PR1S1PR3
SCHEMBL9946182 0.79 S1PR1 (0.47) OPRM1S1PR4S1PR1S1PR3S1PR5
SCHEMBL4489191 0.79 HRH3 (0.34) HRH3OPRM1S1PR4S1PR1S1PR3
SCHEMBL2672697 0.79 KEAP1 (0.42) HRH3OPRM1SLC6A4NOS3NOS1
SCHEMBL20331193 0.78 S1PR1 (0.50) S1PR4S1PR1S1PR3S1PR5
SCHEMBL856195 0.78 KEAP1 (0.36) HRH3OPRM1S1PR4S1PR1S1PR3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 US claimed
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP claimed
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2005-01-13 US claimed
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 US disclosed
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP disclosed
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2005-01-13 US disclosed
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 WO 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-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ABL1, FLT3, JAK2 HRH3 734/4885OPRM1 923/4885S1PR4 4263/4885

“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.