SCHEMBL496166

SCHEMBL496166

N[C@H](Cc1ccccc1)[C@@H](O)CN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.48
KCNJ4 P48050 1/20 0.47
POLB P06746 2/20 0.47
CYP2D6 P10635 1/20 0.47
ATM Q13315 2/20 0.46
SIGMAR1 Q99720 1/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
HIF1A Q16665 1/20 0.45
CSNK1E P49674 1/20 0.44
ABCB1 P08183 4/20 0.44
USP2 O75604 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 SCHEMBL496077 0.99 HSD17B10 (0.50) GAAKMT2AHSD17B10KCNJ4POLB
SCHEMBL19645372 0.88 GAA (0.49) GAAKMT2AHSD17B10KCNJ4POLB
SCHEMBL495874 0.86 CSNK1E (0.48) KMT2AHSD17B10POLBCYP2D6SIGMAR1
SCHEMBL496919 0.85 TSHR (0.47) KMT2AHSD17B10POLBCYP2D6SIGMAR1
Hydrochloric Acid SCHEMBL496018 0.85 CSNK1E (0.47) KMT2AHSD17B10CYP2D6ATMSIGMAR1
SCHEMBL5913859 0.84 EPHX1 (0.52) GAAKMT2AHSD17B10KCNJ4POLB
SCHEMBL367115 0.84 EPHX1 (0.52) GAAKMT2AHSD17B10KCNJ4POLB
SCHEMBL19257998 0.84 EPHX1 (0.52) GAAKMT2AHSD17B10KCNJ4POLB
SCHEMBL24322453 0.84 KDM4E (0.59) GAAPOLBCYP2D6SIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL496570 0.84 KDM4E (0.48) KMT2AHSD17B10POLBCYP2D6ATM

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 GAA 2117/4885KMT2A 2916/4885HSD17B10 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.