SCHEMBL19971618

SCHEMBL19971618

O=C(CN1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1)OC(=O)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 6/20 0.53
▸ S1PR5 Q9H228 4/20 0.44
▸ S1PR1 P21453 2/20 0.44
▸ FUCA1 P04066 2/20 0.42
▸ GRK5 P34947 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ GRIN1 Q05586 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL18498099 0.81 GRIN2B (0.58) GRIN2BS1PR5S1PR1FUCA1GRK5
SCHEMBL18498285 0.81 GRIN2B (0.49) GRIN2BS1PR5S1PR1FUCA1GRK5
SCHEMBL18517590 0.79 GRIN2B (0.55) GRIN2BS1PR5S1PR1FUCA1
SCHEMBL18498228 0.77 GRIN2B (0.67) GRIN2BS1PR5S1PR1FUCA1
SCHEMBL28864650 0.75 — —
SCHEMBL9038830 0.73 S1PR5 (0.52) S1PR5
SCHEMBL5242542 0.73 FUCA1 (0.64) GRIN2BS1PR5S1PR1FUCA1
SCHEMBL26109889 0.72 BCHE (0.52) GRIN2B
SCHEMBL7685605 0.71 GRIN2B (0.58) GRIN2BS1PR5S1PR1FUCA1
SCHEMBL21063430 0.71 — —

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.

Send feedback