SCHEMBL3450837

SCHEMBL3450837

COC(=O)C[C@@H](CO)CN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ABCB1 P08183 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KCNA5 P22460 1/20 0.39
POLB P06746 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
ACHE P22303 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL3450839 1.00 MEN1 (0.41) MEN1KMT2AABCB1NPC1RAB9A
SCHEMBL24766843 0.82 MEN1 (0.46) MEN1KMT2AABCB1NPC1RAB9A
SCHEMBL22100562 0.82 MEN1 (0.46) MEN1KMT2AABCB1NPC1RAB9A
SCHEMBL9755795 0.80 ABCB1 (0.48) ABCB1NPC1RAB9AMAOBALDH1A1
SCHEMBL9755798 0.80 ABCB1 (0.48) ABCB1NPC1RAB9AMAOBALDH1A1
SCHEMBL15530737 0.79 TSHR (0.43) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL10033420 0.79 RORC (0.45) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL14085934 0.79 MEN1 (0.43) MEN1KMT2AABCB1NPC1RAB9A
SCHEMBL13109044 0.77 TRPA1 (0.46) KMT2APOLBALDH1A1KDM4ELMNA
SCHEMBL13657503 0.77 MAOB (0.45) MEN1KMT2AABCB1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820858-B2 Concise β2-amino acid synthesis via organocatalytic aminomethylation WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-10-26 US disclosed
US-7820858-B2 Concise β2-amino acid synthesis via organocatalytic aminomethylation WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-10-26 US disclosed
US-7820858-B2 Concise β2-amino acid synthesis via organocatalytic aminomethylation WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-10-26 US disclosed
US-20080058548-A1 CONCISE BETA2-AMINO ACID SYNTHESIS VIA ORGANOCATALYTIC AMINOMETHYLATION WISCONSIN ALUMNI RESEARCH FOUNDATION (WARF) (US) 2008-03-06 US disclosed
US-20080058548-A1 CONCISE BETA2-AMINO ACID SYNTHESIS VIA ORGANOCATALYTIC AMINOMETHYLATION WISCONSIN ALUMNI RESEARCH FOUNDATION (WARF) (US) 2008-03-06 US disclosed
US-20080058548-A1 CONCISE BETA2-AMINO ACID SYNTHESIS VIA ORGANOCATALYTIC AMINOMETHYLATION WISCONSIN ALUMNI RESEARCH FOUNDATION (WARF) (US) 2008-03-06 US disclosed
WO-2007112358-A1 CONCISE BETA2-AMINO ACID SYNTHESIS VIA ORGANOCATALYTIC AMINOMETHYLATION WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-10-04 WO disclosed
WO-2007112358-A1 CONCISE BETA2-AMINO ACID SYNTHESIS VIA ORGANOCATALYTIC AMINOMETHYLATION WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-10-04 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 (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-20080058548-A1 CONCISE BETA2-AMINO ACID SYNTHESIS VIA ORGANOCATALYTIC AMINOMETHYLATION BCAT2, AADAT, BCAT1 MEN1 1584/4885KMT2A 341/4885ABCB1 4860/4885

“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.