SCHEMBL17322745

SCHEMBL17322745

O=C(COc1ccc(OC(F)(F)F)cc1F)N1CC[C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)C[C@@H]2CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.46
▸ DGAT2 Q96PD7 1/20 0.46
▸ ATXN2 Q99700 3/20 0.40
▸ LIPE Q05469 2/20 0.40
▸ HSD11B1 P28845 2/20 0.38
▸ MAPK7 Q13164 4/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ FPR2 P25090 1/20 0.36

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
SCHEMBL17310935 0.88 ENPP2 (0.53) ENPP2DGAT2ATXN2LIPEHSD11B1
SCHEMBL16963420 0.88 ENPP2 (0.53) ENPP2DGAT2ATXN2LIPEHSD11B1
SCHEMBL17310934 0.88 ENPP2 (0.53) ENPP2DGAT2ATXN2LIPEHSD11B1
SCHEMBL16963795 0.87 ENPP2 (0.42) ENPP2DGAT2ATXN2LIPEHSD11B1
SCHEMBL16962688 0.85 ENPP2 (0.49) ENPP2DGAT2ATXN2LIPEMAPK7
SCHEMBL21323020 0.85 ENPP2 (0.49) ENPP2DGAT2ATXN2LIPEMAPK7
SCHEMBL16962689 0.85 ENPP2 (0.49) ENPP2DGAT2ATXN2LIPEMAPK7
SCHEMBL21323239 0.85 ENPP2 (0.49) ENPP2DGAT2ATXN2MGLL
SCHEMBL16963314 0.85 ENPP2 (0.49) ENPP2DGAT2ATXN2MGLL
SCHEMBL16963317 0.85 ENPP2 (0.49) ENPP2DGAT2ATXN2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669268-B2 Bicyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-02 — — US disclosed
US-20180118741-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 — — US disclosed
US-20180118741-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 — — US disclosed
US-20150353559-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-12-10 — — US disclosed
US-20150353559-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-12-10 — — 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 (3 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-10669268-B2 Bicyclic derivatives CCNY, BICRA, UQCRB ENPP2 1716/4885DGAT2 3583/4885ATXN2 669/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB ENPP2 1981/4885DGAT2 3525/4885ATXN2 791/4885
US-20150353559-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB ENPP2 1981/4885DGAT2 3525/4885ATXN2 791/4885

“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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