SCHEMBL495877

SCHEMBL495877

O=C(O)N(CCc1ccccc1)[C@H]1CO1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
OPRM1 P35372 3/20 0.43
PKM P14618 1/20 0.43
ALOX5 P09917 1/20 0.41
CTSD P07339 1/20 0.41
KEAP1 Q14145 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL5142449 1.00 MEN1 (0.44) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL3459106 1.00 MEN1 (0.44) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL5316986 0.84 GRM2 (0.45) MEN1KMT2ANPC1RAB9ATAAR1
SCHEMBL4550640 0.82 ALDH1A1 (0.41) MEN1KMT2ATDP1ALOX5ALDH1A1
SCHEMBL997079 0.80 L3MBTL1 (0.41) KMT2AOPRM1PKML3MBTL1
SCHEMBL162237 0.80 L3MBTL1 (0.41) KMT2AOPRM1PKML3MBTL1
SCHEMBL2968353 0.80 L3MBTL1 (0.41) KMT2AOPRM1PKML3MBTL1
SCHEMBL5425735 0.77 TAAR1 (0.47) MEN1KMT2AOPRM1TAAR1OPRD1
SCHEMBL9054232 0.75 CTSD (0.43) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL16908761 0.73 C5AR1 (0.51) MEN1KMT2ANPC1RAB9ATDP1

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
EP-1910317-B1 1-AMINO LINKED COMPOUNDS LILLY CO ELI (US) 2013-07-03 EP disclosed
EP-2446025-A2 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS Codexis, Inc. (US) 2012-05-02 EP disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
WO-2011080562-A1 NOVEL AZA-PEPTIDES CONTAINING 2,2-DISUBSTITUTED CYCLOBUTYL AND/OR SUBSTITUTED ALKOXY BENZYL DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-07-07 WO disclosed
WO-2011005527-A2 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS, INC. (US) 2011-01-13 WO disclosed
EP-2069303-A2 ANTIVIRAL PROTEASE INHIBITORS Gilead Sciences, Inc. (US) 2009-06-17 EP disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed
WO-2008011117-A2 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-01-24 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-20080207735-A1 1-Amino Linked Compounds DPP4, DPP3, DPP9 MEN1 3551/4885KMT2A 2916/4885NPC1 383/4885

“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.