SCHEMBL495855

SCHEMBL495855

N[C@H](Cc1ccccc1)[C@@H](O)CN1Cc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.50
CSNK1E P49674 1/20 0.47
CARM1 Q86X55 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX1 P07099 1/20 0.44
PRMT5 O14744 7/20 0.43
WDR77 Q9BQA1 7/20 0.43
SLC15A1 P46059 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 SCHEMBL496040 0.98 HDAC8 (0.51) HDAC8CSNK1ECARM1MEN1KMT2A
SCHEMBL496381 0.90 PRMT5 (0.56) HDAC8CARM1PRMT5WDR77
Hydrochloric Acid SCHEMBL495605 0.89 PRMT5 (0.55) HDAC8CARM1PRMT5WDR77
SCHEMBL12635744 0.85 CSNK1E (0.43) HDAC8CSNK1ECARM1MEN1KMT2A
SCHEMBL12635740 0.85 CSNK1E (0.43) HDAC8CSNK1ECARM1MEN1KMT2A
SCHEMBL12635754 0.85 HDAC8 (0.43) HDAC8CSNK1EPRMT5WDR77
SCHEMBL4730009 0.83 EPHX1 (0.55) HDAC8CARM1MEN1KMT2AEPHX1
SCHEMBL495874 0.83 CSNK1E (0.48) CSNK1EMEN1KMT2AEPHX1SLC15A1
Hydrochloric Acid SCHEMBL496018 0.81 CSNK1E (0.47) CSNK1EMEN1KMT2AEPHX1SLC15A1
SCHEMBL496919 0.81 TSHR (0.47) CSNK1EMEN1KMT2AEPHX1

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 10 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
EP-1910317-A1 1-AMINO LINKED COMPOUNDS Eli Lilly and Company (US) 2008-04-16 EP 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 HDAC8 1464/4885CSNK1E 194/4885CARM1 1191/4885

“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.