SCHEMBL22607225

SCHEMBL22607225

O=C(CCc1ccc(OC(F)(F)F)c(F)c1)N1CCC2CN(C(=O)c3ccc4[nH]nnc4c3)C[C@@H]2CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.45
▸ ATXN2 Q99700 5/20 0.45
▸ DGAT2 Q96PD7 1/20 0.42
▸ EPHX2 P34913 10/20 0.39
▸ NTRK1 P04629 1/20 0.38
▸ KCNH2 Q12809 1/20 0.35
▸ LIPE Q05469 1/20 0.35

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
SCHEMBL21323015 1.00 ENPP2 (0.45) ENPP2ATXN2DGAT2EPHX2NTRK1
SCHEMBL21323016 1.00 ENPP2 (0.45) ENPP2ATXN2DGAT2EPHX2NTRK1
SCHEMBL16963195 1.00 ENPP2 (0.45) ENPP2ATXN2DGAT2EPHX2NTRK1
SCHEMBL21323110 0.94 ENPP2 (0.46) ENPP2ATXN2DGAT2NTRK1KCNH2
SCHEMBL16962785 0.94 ENPP2 (0.46) ENPP2ATXN2DGAT2NTRK1KCNH2
SCHEMBL16962814 0.91 ATXN2 (0.39) ENPP2ATXN2DGAT2NTRK1KCNH2
SCHEMBL21322858 0.91 ATXN2 (0.39) ENPP2ATXN2DGAT2NTRK1KCNH2
SCHEMBL21323370 0.91 ATM (0.42) ENPP2ATXN2
SCHEMBL16962815 0.91 ATM (0.42) ENPP2ATXN2
SCHEMBL17310878 0.87 ENPP2 (0.55) ENPP2ATXN2DGAT2KCNH2LIPE

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-20200339570-A1 BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 — — 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-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB ENPP2 1716/4885ATXN2 669/4885DGAT2 3583/4885

“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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