SCHEMBL21047055

SCHEMBL21047055

CC(C)C(N)c1cc(OCc2ccccc2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 1/20 0.48
MAOB P27338 5/20 0.45
HRH3 Q9Y5N1 3/20 0.44
ALOX5 P09917 1/20 0.44
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LTA4H P09960 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOA P21397 3/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCHE P06276 1/20 0.41
GABRA5 P31644 1/20 0.41

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
SCHEMBL19867909 1.00 LNPEP (0.48) LNPEPMAOBHRH3ALOX5CYP3A4
SCHEMBL1566108 0.77 KMT2A (0.60) MAOBALOX5SMN1; SMN2KMT2AMAOA
SCHEMBL28985179 0.76 LCK (0.49) LNPEPMAOBHRH3ALOX5CYP3A4
SCHEMBL28985175 0.76 LCK (0.49) LNPEPMAOBHRH3ALOX5CYP3A4
SCHEMBL21047002 0.75 LNPEP (0.40) LNPEPMAOBHRH3ALOX5CYP3A4
SCHEMBL21047003 0.75 LNPEP (0.40) LNPEPMAOBHRH3ALOX5CYP3A4
SCHEMBL21583868 0.74 TAAR1 (0.65) MAOBSMN1; SMN2KMT2AMAOABCHE
SCHEMBL2747423 0.74 TAAR1 (0.65) MAOBSMN1; SMN2KMT2AMAOABCHE
SCHEMBL30211131 0.74 TAAR1 (0.65) MAOBSMN1; SMN2KMT2AMAOABCHE
SCHEMBL2747426 0.74 TAAR1 (0.65) MAOBSMN1; SMN2KMT2AMAOABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190169181-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2019-06-06 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 (1 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-20190169181-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, DNPEP, FOLH1 LNPEP 23/4885MAOB 275/4885HRH3 2210/4885

“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.