SCHEMBL16611515

SCHEMBL16611515

COC(=O)Cc1c(C(=O)OC)ccn1C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 3/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 2/20 0.35
RECQL P46063 1/20 0.34

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
SCHEMBL3987342 0.75 KDM4E (0.41) ALDH1A1KDM4EHPGDHSD17B10ATM
SCHEMBL16610633 0.74 KDM4E (0.36) ALDH1A1KDM4EHPGDNPSR1HSD17B10
SCHEMBL16610634 0.74 KDM4E (0.36) ALDH1A1KDM4EHPGDNPSR1HSD17B10
SCHEMBL16610760 0.73 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL10815985 0.70 CYP4F2 (0.41) ALDH1A1KDM4EHSD17B10TSHRKMT2A
SCHEMBL30612380 0.69 KDM4E (0.47) ALDH1A1KDM4EHPGDNPSR1HSD17B10
SCHEMBL10398085 0.69 GAA (0.38) ALDH1A1KDM4EHSD17B10TSHRKMT2A
SCHEMBL10398506 0.69 GAA (0.38) ALDH1A1KDM4EHSD17B10TSHRKMT2A
SCHEMBL11199031 0.69 GAA (0.40) KDM4EHSD17B10TSHRKMT2APOLB
SCHEMBL21246071 0.68 KDM4E (0.43) ALDH1A1KDM4EHPGDNPSR1HSD17B10

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 ALDH1A1 3511/4885KDM4E 456/4885HPGD 1854/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ALDH1A1 3511/4885KDM4E 456/4885HPGD 1854/4885

“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.