SCHEMBL496919

SCHEMBL496919

N[C@H](Cc1ccccc1)[C@@H](O)CN1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2D6 P10635 2/20 0.47
HIF1A Q16665 1/20 0.47
CSNK1E P49674 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
EPHX1 P07099 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
LTA4H P09960 1/20 0.43
POLB P06746 1/20 0.43
MAOB P27338 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43

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 SCHEMBL496570 0.98 KDM4E (0.48) TSHRRAB9AHSD17B10CYP2D6HIF1A
SCHEMBL495874 0.98 CSNK1E (0.48) TSHRRAB9AHSD17B10CYP2D6HIF1A
Hydrochloric Acid SCHEMBL496018 0.97 CSNK1E (0.47) TSHRRAB9AHSD17B10CYP2D6HIF1A
SCHEMBL24322453 0.86 KDM4E (0.59) TSHRCYP2D6CSNK1EKDM4EALDH1A1
SCHEMBL496166 0.85 GAA (0.49) RAB9AHSD17B10CYP2D6HIF1ACSNK1E
Hydrochloric Acid SCHEMBL496077 0.84 HSD17B10 (0.50) RAB9AHSD17B10CYP2D6HIF1ACSNK1E
SCHEMBL30757654 0.83 EPHX1 (0.55) TSHRRAB9AHSD17B10CYP2D6HIF1A
SCHEMBL28704889 0.83 EPHX1 (0.55) TSHRRAB9AHSD17B10CYP2D6HIF1A
SCHEMBL11991373 0.83 EPHX1 (0.55) TSHRRAB9AHSD17B10CYP2D6HIF1A
SCHEMBL13405058 0.83 EPHX1 (0.55) TSHRRAB9AHSD17B10CYP2D6HIF1A

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
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 TSHR 247/4885RAB9A 1827/4885HSD17B10 159/4885

“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.