SCHEMBL496237

SCHEMBL496237

CN(C)C[C@H](O)[C@H](N)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.55
EPHX1 P07099 1/20 0.50
SPPL2A Q8TCT8 1/20 0.47
SLC6A2 P23975 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
LAP3 P28838 4/20 0.46
ANPEP P15144 2/20 0.46
RNPEP Q9H4A4 1/20 0.46
DNPEP Q9ULA0 1/20 0.46
SLC15A1 P46059 1/20 0.45
TRPA1 O75762 1/20 0.44
CYP2D6 P10635 1/20 0.44
OPRD1 P41143 2/20 0.44

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
Hydrochloric Acid SCHEMBL4789127 0.98 CSNK1E (0.54) CSNK1EEPHX1SPPL2ASLC6A2TAAR1
Hydrochloric Acid SCHEMBL15062952 0.98 CSNK1E (0.54) CSNK1EEPHX1SPPL2ASLC6A2TAAR1
Hydrochloric Acid SCHEMBL496260 0.98 CSNK1E (0.54) CSNK1EEPHX1SPPL2ASLC6A2TAAR1
SCHEMBL26941825 0.85 CSNK1E (0.51) CSNK1EEPHX1SPPL2ASLC6A2TAAR1
SCHEMBL22626653 0.85 SPPL2A (0.53) CSNK1EEPHX1SPPL2ASLC6A2TAAR1
SCHEMBL13118762 0.85 SPPL2A (0.53) CSNK1EEPHX1SPPL2ASLC6A2TAAR1
SCHEMBL496176 0.85 CSNK1E (0.51) CSNK1EEPHX1SPPL2ASLC6A2TAAR1
Hydrochloric Acid SCHEMBL496241 0.83 CSNK1E (0.50) CSNK1EEPHX1SPPL2ASLC6A2TAAR1
SCHEMBL13817895 0.83 CSNK1E (0.60) CSNK1EEPHX1SLC6A2TAAR1MAOA
SCHEMBL496229 0.82 CSNK1E (0.49) CSNK1EEPHX1SPPL2ATAAR1SIGMAR1

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 9 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-1910317-B1 1-AMINO LINKED COMPOUNDS LILLY CO ELI (US) 2013-07-03 EP disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed
WO-2007015805-A1 1-AMINO LINKED COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 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 CSNK1E 194/4885EPHX1 1127/4885SPPL2A 2493/4885

“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.