SCHEMBL19971647

SCHEMBL19971647

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.36
CHRNA4 P43681 7/20 0.36
CHRNA7 P36544 3/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
NFKB1 P19838 1/20 0.36
CHRM3 P20309 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.35
APEX1 P27695 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX1 P07099 1/20 0.35
CHRNB4 P30926 3/20 0.34
CHRNA3 P32297 3/20 0.34
ALDH1A1 P00352 1/20 0.30
IRAK4 Q9NWZ3 2/20 0.30

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
SCHEMBL18517356 1.00 CHRNB2 (0.36) CHRNB2CHRNA4CHRNA7CHRM2CHRM4
SCHEMBL19971648 1.00 CHRNB2 (0.36) CHRNB2CHRNA4CHRNA7CHRM2CHRM4
SCHEMBL18506028 0.81 CHRM3 (0.38) CHRNB2CHRNA4CHRNA7CHRM2CHRM4
SCHEMBL18748770 0.78 EPHX1 (0.37) CHRNB2CHRNA4CHRNA7CHRM2CHRM4
SCHEMBL19063754 0.76 GBA1 (0.37) CHRNB2CHRNA4CHRNA7CHRM2CHRM4
SCHEMBL19063696 0.76 GBA1 (0.37) CHRNB2CHRNA4CHRNA7CHRM2CHRM4
SCHEMBL19063943 0.76 GBA1 (0.37) CHRNB2CHRNA4CHRNA7CHRM2CHRM4
SCHEMBL19063990 0.76 GBA1 (0.37) CHRNB2CHRNA4CHRNA7CHRM2CHRM4
SCHEMBL19064087 0.75 CHRNB2 (0.34) CHRNB2CHRNA4CHRNA7CHRM2CHRM4
SCHEMBL21126501 0.75 RAB9A (0.35) CHRNB2CHRNA4CHRNA7CHRM2CHRM4

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 CHRNB2 4388/4885CHRNA4 4790/4885CHRNA7 4738/4885
US-20180237449-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP CHRNB2 4388/4885CHRNA4 4790/4885CHRNA7 4738/4885
US-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP CHRNB2 4388/4885CHRNA4 4790/4885CHRNA7 4738/4885
US-20190023716-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP CHRNB2 4388/4885CHRNA4 4790/4885CHRNA7 4738/4885

“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.