SCHEMBL18540871

SCHEMBL18540871

O=C(/C=C/c1cc(F)cc(C(F)(F)F)c1)C1C[C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)C[C@@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATXN2 Q99700 4/20 0.35
▸ ENPP2 Q13822 4/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34
▸ GPR183 P32249 2/20 0.33
▸ HSD11B1 P28845 2/20 0.33
▸ HDAC1 Q13547 1/20 0.32
▸ CHRNA4 P43681 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SCN9A Q15858 1/20 0.30

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
SCHEMBL21323309 0.90 GPR183 (0.39) ATXN2ENPP2DGAT2GPR183HDAC1
SCHEMBL16963465 0.90 GPR183 (0.39) ATXN2ENPP2DGAT2GPR183HDAC1
SCHEMBL16963089 0.90 GPR183 (0.39) ATXN2ENPP2DGAT2GPR183HDAC1
SCHEMBL21313899 0.79 GPR183 (0.34) ATXN2ENPP2GPR183HPGD
SCHEMBL16963466 0.79 GPR183 (0.34) ATXN2ENPP2GPR183HPGD
SCHEMBL21323334 0.79 GPR183 (0.49) ATXN2ENPP2DGAT2GPR183HDAC1
SCHEMBL16963560 0.79 GPR183 (0.49) ATXN2ENPP2DGAT2GPR183HDAC1
SCHEMBL16963565 0.79 GPR183 (0.49) ATXN2ENPP2DGAT2GPR183HDAC1
SCHEMBL16962945 0.78 ENPP2 (0.46) ATXN2ENPP2GPR183
SCHEMBL16962947 0.78 ENPP2 (0.46) ATXN2ENPP2GPR183

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050960-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-02-23 — — US disclosed
US-20170050960-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-02-23 — — 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-20170050960-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB ATXN2 791/4885ENPP2 1981/4885DGAT2 3525/4885

“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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