SCHEMBL19656266

SCHEMBL19656266

CCCCN(CC)C(C)(C)N

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA9 Q16790 2/20 0.31
CA2 P00918 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
PLA2G1B P04054 1/20 0.30
PLA2G2A P14555 1/20 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
SCHEMBL7770548 0.79 CA12 (0.33) CA12CA1CA9CA2
SCHEMBL18754884 0.78
SCHEMBL11598492 0.75
SCHEMBL2524017 0.73 TSHR (0.35) CA12CA1CA9CA2
SCHEMBL5167303 0.72 DNM1 (0.31) CA12CA1CA9
SCHEMBL13570339 0.72 DNM1 (0.31) CA12CA1CA9
SCHEMBL11667395 0.72 MMP1 (0.32) CA12CA1CA9
SCHEMBL14472702 0.72 DNM1 (0.42) CA12CA1CA9CA2PLA2G1B
SCHEMBL7988589 0.70 CA12 (0.37) CA12CA1CA9CA2
SCHEMBL28831350 0.70 FDPS (0.37)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023561-B2 Fumagillol heterocyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2018-07-17 US disclosed
US-20170342058-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2017-11-30 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-20170342058-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 CA12 523/4885CA1 779/4885CA9 368/4885
US-10023561-B2 Fumagillol heterocyclic compounds and methods of making and using same METAP2, FAP, FOLH1 CA12 523/4885CA1 779/4885CA9 368/4885

“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.