SCHEMBL495874

SCHEMBL495874

N[C@H](Cc1ccccc1)[C@@H](O)CN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.48
EPHX1 P07099 1/20 0.46
KDM4E B2RXH2 3/20 0.45
TSHR P16473 3/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LTA4H P09960 1/20 0.44
CYP2D6 P10635 2/20 0.44
HIF1A Q16665 1/20 0.44
SLC6A3 Q01959 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
SLC15A1 P46059 1/20 0.42
SLC6A4 P31645 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 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 SCHEMBL496018 0.98 CSNK1E (0.47) CSNK1EEPHX1KDM4ETSHRRAB9A
SCHEMBL496919 0.98 TSHR (0.47) CSNK1EEPHX1KDM4ETSHRRAB9A
Hydrochloric Acid SCHEMBL496570 0.97 KDM4E (0.48) CSNK1EEPHX1KDM4ETSHRRAB9A
SCHEMBL24322453 0.88 KDM4E (0.59) CSNK1EKDM4ETSHRCYP2D6ALDH1A1
SCHEMBL496166 0.86 GAA (0.49) CSNK1ERAB9AHSD17B10CYP2D6HIF1A
Hydrochloric Acid SCHEMBL496077 0.85 HSD17B10 (0.50) CSNK1ERAB9AHSD17B10CYP2D6HIF1A
SCHEMBL3595876 0.83 EPHX1 (0.57) EPHX1TSHRLTA4HCYP2D6SLC6A3
SCHEMBL3594490 0.83 EPHX1 (0.57) EPHX1TSHRLTA4HCYP2D6SLC6A3
SCHEMBL7369953 0.83 EPHX1 (0.57) EPHX1TSHRLTA4HCYP2D6SLC6A3
SCHEMBL496223 0.83 SLC18A3 (0.60) TSHRCYP2D6MEN1KMT2ASIGMAR1

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 11 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
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 1127/4885KDM4E 2377/4885

“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.