SCHEMBL496229

SCHEMBL496229

CN(CCc1ccccc1)C[C@H](O)[C@H](N)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.49
SIGMAR1 Q99720 5/20 0.47
TAAR1 Q96RJ0 2/20 0.47
AOC3 Q16853 2/20 0.46
SPPL2A Q8TCT8 1/20 0.43
EPHX1 P07099 1/20 0.43
TRPA1 O75762 2/20 0.42
CYP2D6 P10635 1/20 0.42
LAP3 P28838 2/20 0.41
ANPEP P15144 1/20 0.41
RNPEP Q9H4A4 1/20 0.41
DNPEP Q9ULA0 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
Hydrochloric Acid SCHEMBL4753936 0.98 CSNK1E (0.48) CSNK1ESIGMAR1TAAR1AOC3SPPL2A
Hydrochloric Acid SCHEMBL496211 0.98 CSNK1E (0.48) CSNK1ESIGMAR1TAAR1AOC3SPPL2A
Hydrochloric Acid SCHEMBL4753935 0.98 CSNK1E (0.48) CSNK1ESIGMAR1TAAR1AOC3SPPL2A
SCHEMBL22626653 0.84 SPPL2A (0.53) CSNK1ESIGMAR1TAAR1AOC3SPPL2A
SCHEMBL496176 0.84 CSNK1E (0.51) CSNK1ESIGMAR1TAAR1AOC3SPPL2A
SCHEMBL13118762 0.84 SPPL2A (0.53) CSNK1ESIGMAR1TAAR1AOC3SPPL2A
Hydrochloric Acid SCHEMBL496241 0.83 CSNK1E (0.50) CSNK1ESIGMAR1TAAR1AOC3SPPL2A
SCHEMBL496237 0.82 CSNK1E (0.55) CSNK1ESIGMAR1TAAR1SPPL2AEPHX1
Hydrochloric Acid SCHEMBL496260 0.81 CSNK1E (0.54) CSNK1ESIGMAR1TAAR1SPPL2AEPHX1
Hydrochloric Acid SCHEMBL15062952 0.81 CSNK1E (0.54) CSNK1ESIGMAR1TAAR1SPPL2AEPHX1

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 194/4885SIGMAR1 281/4885TAAR1 161/4885

“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.