SCHEMBL16610760

SCHEMBL16610760

O=C(O)Cc1c(C(=O)O)ccn1C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
AURKA O14965 2/20 0.38
CDK4 P11802 1/20 0.38
HSD17B10 Q99714 4/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 1/20 0.36
ENPP2 Q13822 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
ACMSD Q8TDX5 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
HCAR3 P49019 1/20 0.31

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
SCHEMBL3988622 0.69 NOTUM (0.38) KDM4EHSD17B10ALDH1A1HPGDPOLB
SCHEMBL30612395 0.67 KDM4E (0.52) KDM4EHSD17B10GAAALDH1A1HPGD
SCHEMBL9672986 0.66 NOTUM (0.32) ALDH1A1POLB
Hydrochloric Acid SCHEMBL11452778 0.66 KDM4E (0.51) KDM4EHSD17B10GAAALDH1A1HPGD
SCHEMBL1812388 0.65 KDM4E (0.43) KDM4EHSD17B10GAAALDH1A1HPGD
SCHEMBL13522482 0.65 HSD17B10 (0.51) KDM4EAURKAHSD17B10GAAALDH1A1
SCHEMBL22498188 0.65 KDM4E (0.47) KDM4EHSD17B10GAAALDH1A1HPGD
SCHEMBL14994083 0.63 CNR1 (0.39) OPRD1KDM4C
SCHEMBL6018489 0.62 HSD17B10 (0.37) KDM4EHSD17B10GAA
SCHEMBL2592646 0.62 KDM4E (0.41) KDM4EHSD17B10GAAALDH1A1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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 (2 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 KDM4E 456/4885AURKA 2277/4885CDK4 336/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 KDM4E 456/4885AURKA 2277/4885CDK4 336/4885

“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.