SCHEMBL18498129

SCHEMBL18498129

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 4/20 0.53
▸ S1PR5 Q9H228 2/20 0.50
▸ S1PR1 P21453 1/20 0.50
▸ FUCA1 P04066 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ FAAH O00519 1/20 0.44

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
SCHEMBL18517593 1.00 GRIN2B (0.53) GRIN2BS1PR5S1PR1FUCA1NPSR1
SCHEMBL4692050 0.84 GRIN2B (0.58) GRIN2BS1PR5S1PR1FUCA1ALDH1A1
SCHEMBL7685605 0.84 GRIN2B (0.58) GRIN2BS1PR5S1PR1FUCA1ALDH1A1
SCHEMBL18517360 0.84 GRIN2B (0.52) GRIN2BS1PR5S1PR1FUCA1ALDH1A1
SCHEMBL18498096 0.84 GRIN2B (0.52) GRIN2BS1PR5S1PR1FUCA1ALDH1A1
SCHEMBL19971633 0.81 ALDH1A1 (0.53) GRIN2BS1PR5S1PR1FUCA1ALDH1A1
SCHEMBL18498061 0.81 ALDH1A1 (0.53) GRIN2BS1PR5S1PR1FUCA1ALDH1A1
SCHEMBL18517433 0.81 ALDH1A1 (0.53) GRIN2BS1PR5S1PR1FUCA1ALDH1A1
SCHEMBL18498038 0.81 GRIN2B (0.52) GRIN2BS1PR5S1PR1FUCA1ACHE
SCHEMBL20844371 0.80 GRIN2B (0.49) GRIN2BS1PR5S1PR1FUCA1ALDH1A1

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 14 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-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-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
EP-3334729-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND THEIR USE AS METAP2 INHIBITORS Zafgen, Inc. (US) 2018-06-20 — — EP 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-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-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
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
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
WO-2017027687-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND THEIR USE AS METAP2 INHIBITORS ZAFGEN, INC. (US) 2017-02-16 — — WO disclosed
WO-2017027687-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND THEIR USE AS METAP2 INHIBITORS ZAFGEN, INC. (US) 2017-02-16 — — WO 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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