SCHEMBL12637441

SCHEMBL12637441

CN(C)c1nc2c(-c3ccc(C(C(F)(F)F)C(F)(F)F)cc3)cccc2o1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CMKLR1 Q99788 18/20 0.38
▸ HTR3A P46098 1/20 0.33
▸ ENPP1 P22413 1/20 0.32

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
SCHEMBL12637439 0.83 ENPP1 (0.41) CMKLR1HTR3AENPP1
SCHEMBL12637437 0.80 TOP2A (0.40) CMKLR1HTR3A
SCHEMBL12637448 0.74 CYP1A2 (0.44) HTR3A
SCHEMBL12637440 0.74 GSTP1 (0.39) CMKLR1HTR3A
SCHEMBL12637483 0.72 ENPP1 (0.34) ENPP1
SCHEMBL12637442 0.72 TOP2A (0.38) CMKLR1HTR3A
SCHEMBL1881174 0.72 NR4A2 (0.37) ENPP1
SCHEMBL12637460 0.68 HTR3A (0.32) CMKLR1HTR3A
SCHEMBL1883479 0.64 NAMPT (0.41) ENPP1
SCHEMBL2754275 0.63 TOP2A (0.50) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939669-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-10 — — US disclosed
US-7939669-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-10 — — US disclosed
US-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2009-12-10 — — US disclosed
US-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2009-12-10 — — 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-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SCO2, RPS4Y1, RER1 CMKLR1 768/4885HTR3A 4426/4885ENPP1 2859/4885

“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.

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