SCHEMBL19971639

SCHEMBL19971639

CC(C)(C)OC(=O)C(OC(=O)C(F)(F)F)N1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 5/20 0.40
▸ S1PR5 Q9H228 2/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ ACHE P22303 2/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPFFR1 Q9GZQ6 1/20 0.36
▸ NPFFR2 Q9Y5X5 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 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
SCHEMBL18498285 0.79 GRIN2B (0.49) GRIN2BS1PR5S1PR1KMT2AL3MBTL1
SCHEMBL18517590 0.74 GRIN2B (0.55) GRIN2BS1PR5S1PR1KMT2AL3MBTL1
SCHEMBL584450 0.74 KCNK3 (0.55) GRIN2BS1PR5S1PR1
SCHEMBL649847 0.74 KCNK3 (0.55) GRIN2BS1PR5S1PR1
SCHEMBL16053284 0.74 KCNK3 (0.55) GRIN2BS1PR5S1PR1
Trifluoroacetic Acid SCHEMBL18498286 0.73 GRIN2B (0.44) GRIN2BS1PR5S1PR1
Hydrochloric Acid SCHEMBL6095348 0.73 KCNK3 (0.54) GRIN2BS1PR5S1PR1
Hydrochloric Acid SCHEMBL6093599 0.73 KCNK3 (0.54) GRIN2BS1PR5S1PR1
SCHEMBL18517594 0.72 GRIN2B (0.46) GRIN2BS1PR5S1PR1
SCHEMBL4640533 0.72 S1PR5 (0.44) S1PR5S1PR1ACHEKMT2AL3MBTL1

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-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-03-28 — — US disclosed
US-20190023716-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-01-24 — — US disclosed
US-20180237449-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2018-08-23 — — US disclosed
US-9944613-B2 Fumagillol spirocyclic compounds and fused bicyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2018-04-17 — — US disclosed
US-20180079737-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2018-03-22 — — 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 (4 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-20180079737-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP GRIN2B 1690/4885S1PR5 2786/4885S1PR1 2867/4885
US-20180237449-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP GRIN2B 1690/4885S1PR5 2786/4885S1PR1 2867/4885
US-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP GRIN2B 1690/4885S1PR5 2786/4885S1PR1 2867/4885
US-20190023716-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP GRIN2B 1690/4885S1PR5 2786/4885S1PR1 2867/4885

“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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