SCHEMBL19971664

SCHEMBL19971664

CN(CCN1CCOCC1)C(=O)C1[C@H]2CN(C(=O)O)C[C@@H]12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.39
ALDH1A1 P00352 1/20 0.36
BUB1 O43683 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
POLB P06746 1/20 0.35
CHRM3 P20309 1/20 0.34
TACR1 P25103 1/20 0.34
TACR3 P29371 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PAOX Q6QHF9 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL19971663 1.00 GLA (0.39) GLAALDH1A1BUB1KMT2ALMNA
SCHEMBL19971662 1.00 GLA (0.39) GLAALDH1A1BUB1KMT2ALMNA
SCHEMBL19986241 0.81 GLA (0.41) GLAALDH1A1BUB1KMT2APOLB
SCHEMBL7004890 0.76 HRH3 (0.46) GLAALDH1A1BUB1KMT2AKDM4E
SCHEMBL26579714 0.75 GLA (0.52) GLAALDH1A1KMT2AKDM4ERAB9A
SCHEMBL3673101 0.74 GLA (0.46) GLAALDH1A1KMT2AKDM4ERAB9A
SCHEMBL19971687 0.73 ALDH1A1 (0.46) ALDH1A1LMNATSHR
SCHEMBL19971686 0.73 ALDH1A1 (0.46) ALDH1A1LMNATSHR
SCHEMBL19971685 0.73 ALDH1A1 (0.46) ALDH1A1LMNATSHR
SCHEMBL259485 0.72 GLA (0.47) GLAALDH1A1KMT2AKDM4EHSD17B10

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-20180237449-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2018-08-23 US claimed
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-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 (3 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 GLA 1078/4885ALDH1A1 402/4885BUB1 3486/4885
US-20180237449-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP GLA 1078/4885ALDH1A1 402/4885BUB1 3486/4885
US-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP GLA 1078/4885ALDH1A1 402/4885BUB1 3486/4885

“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.