SCHEMBL19971633

SCHEMBL19971633

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
CYP2D6 P10635 1/20 0.53
GRIN2B Q13224 4/20 0.52
S1PR5 Q9H228 2/20 0.49
S1PR1 P21453 1/20 0.49
FUCA1 P04066 2/20 0.47
FAAH O00519 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL18498061 1.00 ALDH1A1 (0.53) ALDH1A1CYP2D6GRIN2BS1PR5S1PR1
SCHEMBL18517433 1.00 ALDH1A1 (0.53) ALDH1A1CYP2D6GRIN2BS1PR5S1PR1
SCHEMBL16053284 0.85 KCNK3 (0.55) GRIN2BS1PR5S1PR1
SCHEMBL584450 0.85 KCNK3 (0.55) GRIN2BS1PR5S1PR1
SCHEMBL649847 0.85 KCNK3 (0.55) GRIN2BS1PR5S1PR1
Hydrochloric Acid SCHEMBL6095348 0.83 KCNK3 (0.54) GRIN2BS1PR5S1PR1
Hydrochloric Acid SCHEMBL6093599 0.83 KCNK3 (0.54) GRIN2BS1PR5S1PR1
SCHEMBL4692050 0.83 GRIN2B (0.58) ALDH1A1GRIN2BS1PR5S1PR1FUCA1
SCHEMBL7685605 0.83 GRIN2B (0.58) ALDH1A1GRIN2BS1PR5S1PR1FUCA1
SCHEMBL18498038 0.82 GRIN2B (0.52) GRIN2BS1PR5S1PR1FUCA1FAAH

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 ALDH1A1 402/4885CYP2D6 1016/4885GRIN2B 1690/4885
US-20180237449-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP ALDH1A1 402/4885CYP2D6 1016/4885GRIN2B 1690/4885
US-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP ALDH1A1 402/4885CYP2D6 1016/4885GRIN2B 1690/4885
US-20190023716-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP ALDH1A1 402/4885CYP2D6 1016/4885GRIN2B 1690/4885

“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.