SCHEMBL19971616

SCHEMBL19971616

CN(C)C(=O)OC[C@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.55
ACHE P22303 4/20 0.55
FUCA1 P04066 2/20 0.47
S1PR5 Q9H228 2/20 0.45
S1PR1 P21453 1/20 0.45
MAOB P27338 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CCR5 P51681 1/20 0.42
GBA1 P04062 1/20 0.41

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
SCHEMBL19971615 1.00 BCHE (0.55) BCHEACHEFUCA1S1PR5S1PR1
SCHEMBL19971617 1.00 BCHE (0.55) BCHEACHEFUCA1S1PR5S1PR1
SCHEMBL4237606 0.83 CHRM2 (0.48) BCHEACHEFUCA1S1PR5S1PR1
SCHEMBL18517359 0.82 BCHE (0.51) BCHEACHEFUCA1S1PR5S1PR1
SCHEMBL19971611 0.82 BCHE (0.51) BCHEACHEFUCA1S1PR5S1PR1
SCHEMBL19971612 0.82 BCHE (0.51) BCHEACHEFUCA1S1PR5S1PR1
SCHEMBL4245563 0.78 ACHE (0.49) BCHEACHEMAOB
SCHEMBL4617491 0.77 CHRM3 (0.48) BCHEACHEFUCA1S1PR5S1PR1
SCHEMBL1014405 0.76 FUCA1 (0.53) BCHEACHEFUCA1S1PR5S1PR1
SCHEMBL4619115 0.75 CHRM3 (0.46) BCHEACHEFUCA1S1PR5S1PR1

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 BCHE 171/4885ACHE 680/4885FUCA1 166/4885
US-20180237449-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP BCHE 171/4885ACHE 680/4885FUCA1 166/4885
US-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP BCHE 171/4885ACHE 680/4885FUCA1 166/4885
US-20190023716-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP BCHE 171/4885ACHE 680/4885FUCA1 166/4885

“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.