SCHEMBL19986235

SCHEMBL19986235

CN(CCN1CCOCC1)C(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
GLA P06280 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TACR1 P25103 1/20 0.41
TACR3 P29371 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
PAOX Q6QHF9 1/20 0.37
POLB P06746 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL15014707 0.89 SMN1; SMN2 (0.46) SMN1; SMN2GLAMEN1KMT2ATACR1
SCHEMBL259375 0.85 CHRM2 (0.43) SMN1; SMN2GLAMEN1KMT2ATACR1
SCHEMBL13980424 0.84 SMN1; SMN2 (0.43) SMN1; SMN2GLAMEN1KMT2ATACR1
SCHEMBL14207598 0.84 SIGMAR1 (0.44) ALDH1A1POLBCHRM3
SCHEMBL7003764 0.83 HRH3 (0.46) ALDH1A1POLB
SCHEMBL13985636 0.83 TACR1 (0.41) SMN1; SMN2GLAMEN1KMT2ATACR1
SCHEMBL259485 0.81 GLA (0.47) SMN1; SMN2GLAMEN1KMT2AKDM4E
SCHEMBL26579714 0.81 GLA (0.52) SMN1; SMN2GLAMEN1KMT2ATACR1
SCHEMBL15025227 0.80 TACR1 (0.42) SMN1; SMN2GLAMEN1KMT2ATACR1
SCHEMBL13985633 0.80 TACR1 (0.40) SMN1; SMN2GLAMEN1KMT2ATACR1

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 3 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-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 (2 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 SMN1; SMN2 2937/4885GLA 1078/4885MEN1 338/4885
US-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP SMN1; SMN2 2937/4885GLA 1078/4885MEN1 338/4885

“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.