SCHEMBL18506016

SCHEMBL18506016

CCN(CC)C[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 3/20 0.52
▸ ACE2 Q9BYF1 3/20 0.51
▸ TSHR P16473 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.49
▸ PRCP P42785 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ CTRB1 P17538 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL18506018 0.93 SMN1; SMN2 (0.49) PREPTSHRL3MBTL1NPC1RAB9A
SCHEMBL18506025 0.88 PREP (0.50) PREPACE2TSHRL3MBTL1KDM4E
SCHEMBL809534 0.86 PREP (0.57) PREPACE2TSHRL3MBTL1KDM4E
SCHEMBL25678348 0.84 SIGMAR1 (0.52) PREPACE2NPSR1NPC1RAB9A
SCHEMBL16983239 0.84 PREP (0.55) PREPACE2TSHRL3MBTL1KDM4E
SCHEMBL7312769 0.84 PREP (0.55) PREPACE2TSHRL3MBTL1KDM4E
SCHEMBL7318776 0.84 PREP (0.55) PREPACE2TSHRL3MBTL1KDM4E
SCHEMBL7312764 0.84 PREP (0.55) PREPACE2TSHRL3MBTL1KDM4E
SCHEMBL13198885 0.83 NPC1 (0.60) PREPACE2TSHRL3MBTL1KDM4E
SCHEMBL14646609 0.83 NPC1 (0.60) PREPACE2TSHRL3MBTL1KDM4E

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-20170342058-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2017-11-30 — — US disclosed
US-9682965-B2 Fumagillol heterocyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-06-20 — — US disclosed
US-9682965-B2 Fumagillol heterocyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-06-20 — — US disclosed
US-20170066749-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2017-03-09 — — US disclosed
US-20170066749-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2017-03-09 — — US disclosed
WO-2017027684-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. (US) 2017-02-16 — — WO 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-20170066749-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 PREP 6/4885ACE2 46/4885TSHR 4113/4885
US-20170342058-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 PREP 6/4885ACE2 46/4885TSHR 4113/4885

“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.

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