SCHEMBL19971614

SCHEMBL19971614

CNC(=O)C1[C@H]2CN(Cc3ccccc3)C[C@@H]12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 2/20 0.50
CACNA1G O43497 1/20 0.50
CACNA1H O95180 1/20 0.50
KCNH2 Q12809 1/20 0.50
S1PR1 P21453 1/20 0.50
FUCA1 P04066 2/20 0.49
MCHR1 Q99705 1/20 0.46
LTA4H P09960 1/20 0.45
SCN4A P35499 2/20 0.45
HTR4 Q13639 1/20 0.45
FAAH O00519 1/20 0.44

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
SCHEMBL18517410 1.00 S1PR5 (0.50) S1PR5CACNA1GCACNA1HKCNH2S1PR1
SCHEMBL19971613 1.00 S1PR5 (0.50) S1PR5CACNA1GCACNA1HKCNH2S1PR1
SCHEMBL30268809 0.85 POLB (0.58) S1PR5CACNA1GCACNA1HKCNH2S1PR1
SCHEMBL29215851 0.85 POLB (0.58) S1PR5CACNA1GCACNA1HKCNH2S1PR1
SCHEMBL27035777 0.85 S1PR5 (0.50) S1PR5CACNA1GCACNA1HKCNH2S1PR1
SCHEMBL9128323 0.82 S1PR5 (0.61) S1PR5S1PR1FUCA1LTA4H
SCHEMBL19971626 0.82 S1PR5 (0.61) S1PR5S1PR1FUCA1LTA4H
SCHEMBL19971625 0.82 S1PR5 (0.61) S1PR5S1PR1FUCA1LTA4H
SCHEMBL8919911 0.82 S1PR5 (0.61) S1PR5S1PR1FUCA1LTA4H
Hydrochloric Acid SCHEMBL8917504 0.81 S1PR5 (0.59) S1PR5S1PR1FUCA1LTA4H

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 S1PR5 2786/4885CACNA1G 3708/4885CACNA1H 4005/4885
US-20180237449-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP S1PR5 2786/4885CACNA1G 3708/4885CACNA1H 4005/4885
US-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP S1PR5 2786/4885CACNA1G 3708/4885CACNA1H 4005/4885
US-20190023716-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP S1PR5 2786/4885CACNA1G 3708/4885CACNA1H 4005/4885

“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.