SCHEMBL18498363

SCHEMBL18498363

CCN(CC)C(=O)CN1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 3/20 0.58
▸ KDM4E B2RXH2 2/20 0.54
▸ S1PR1 P21453 1/20 0.48
▸ S1PR5 Q9H228 1/20 0.48
▸ FUCA1 P04066 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ OPRM1 P35372 3/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TSPO P30536 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ OPRK1 P41145 1/20 0.46

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
SCHEMBL18498228 0.82 GRIN2B (0.67) GRIN2BS1PR1S1PR5FUCA1KMT2A
SCHEMBL5242542 0.78 FUCA1 (0.64) GRIN2BS1PR1S1PR5FUCA1SIGMAR1
SCHEMBL18498129 0.77 GRIN2B (0.53) GRIN2BS1PR1S1PR5FUCA1ALDH1A1
SCHEMBL18517593 0.77 GRIN2B (0.53) GRIN2BS1PR1S1PR5FUCA1ALDH1A1
SCHEMBL21064724 0.76 FUCA1 (0.55) GRIN2BFUCA1SIGMAR1
SCHEMBL4692050 0.75 GRIN2B (0.58) GRIN2BS1PR1S1PR5FUCA1KMT2A
SCHEMBL18498115 0.75 KDM4E (0.40) KDM4EKMT2ASIGMAR1ALDH1A1TSPO
SCHEMBL7685605 0.75 GRIN2B (0.58) GRIN2BS1PR1S1PR5FUCA1KMT2A
SCHEMBL18517590 0.75 GRIN2B (0.55) GRIN2BS1PR1S1PR5FUCA1KMT2A
SCHEMBL12125070 0.75 KDM4E (0.58) KDM4ES1PR1S1PR5FUCA1ALDH1A1

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 10 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
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-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 1690/4885KDM4E 3677/4885S1PR1 2867/4885
US-20180237449-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP GRIN2B 1690/4885KDM4E 3677/4885S1PR1 2867/4885
US-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP GRIN2B 1690/4885KDM4E 3677/4885S1PR1 2867/4885
US-20190023716-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP GRIN2B 1690/4885KDM4E 3677/4885S1PR1 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