SCHEMBL19986241

SCHEMBL19986241

CN(CCN1CCOCC1)C(=O)[C@H]1[C@@H]2CNC[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
BUB1 O43683 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM3 P20309 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL19971662 0.81 GLA (0.39) GLASMN1; SMN2ALDH1A1POLBBUB1
SCHEMBL19971664 0.81 GLA (0.39) GLASMN1; SMN2ALDH1A1POLBBUB1
SCHEMBL19971663 0.81 GLA (0.39) GLASMN1; SMN2ALDH1A1POLBBUB1
SCHEMBL7004890 0.78 HRH3 (0.46) GLASMN1; SMN2ALDH1A1BUB1KMT2A
SCHEMBL259485 0.74 GLA (0.47) GLASMN1; SMN2ALDH1A1TDP1HSD17B10
SCHEMBL26579714 0.74 GLA (0.52) GLASMN1; SMN2ALDH1A1TDP1CHRM3
SCHEMBL19986242 0.72 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TDP1TSHR
SCHEMBL3673101 0.72 GLA (0.46) GLASMN1; SMN2ALDH1A1TDP1HSD17B10
SCHEMBL7003667 0.71 GLA (0.44) GLASMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL22281749 0.70 TDP1 (0.48) GLASMN1; SMN2ALDH1A1TDP1KMT2A

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 6 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-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

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 1078/4885SMN1; SMN2 2937/4885ALDH1A1 402/4885
US-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP GLA 1078/4885SMN1; SMN2 2937/4885ALDH1A1 402/4885
US-20190023716-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP GLA 1078/4885SMN1; SMN2 2937/4885ALDH1A1 402/4885

“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.