SCHEMBL17509111

SCHEMBL17509111

O=C(OCc1cc(Cl)cc(C(F)(F)F)c1)N1CCCn2nc(Br)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 18/20 0.45
▸ ATXN2 Q99700 1/20 0.45
▸ KCNH2 Q12809 1/20 0.36
▸ FAAH O00519 2/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ ABAT P80404 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL16102491 0.93 ENPP2 (0.38) ENPP2ATXN2KCNH2HTR2AABAT
SCHEMBL16129827 0.89 ENPP2 (0.43) ENPP2ATXN2HTR2AABATSIGMAR1
SCHEMBL16099824 0.88 ENPP2 (0.44) ENPP2ATXN2KCNH2
SCHEMBL16093608 0.88 ENPP2 (0.44) ENPP2ATXN2KCNH2FAAH
SCHEMBL16100253 0.87 TACR1 (0.41) ENPP2ATXN2KCNH2HTR2AABAT
SCHEMBL16099784 0.87 ENPP2 (0.44) ENPP2ATXN2KCNH2FAAHHTR2A
SCHEMBL16099748 0.86 ENPP2 (0.43) ENPP2ATXN2KCNH2FAAH
SCHEMBL16099845 0.85 ENPP2 (0.43) ENPP2ATXN2KCNH2FAAHHTR2A
SCHEMBL16099805 0.85 ENPP2 (0.43) ENPP2ATXN2KCNH2
SCHEMBL16102646 0.85 ENPP2 (0.42) ENPP2ATXN2KCNH2

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-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 — — 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-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 ENPP2 1/4885ATXN2 110/4885KCNH2 2017/4885

“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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