SCHEMBL16610749

SCHEMBL16610749

O=C(O)C=Cc1cccn1C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
ALOX5 P09917 6/20 0.39
HCAR2 Q8TDS4 2/20 0.38
HDAC3 O15379 1/20 0.38
TNKS O95271 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 3/20 0.36

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
SCHEMBL16610748 1.00 DRD2 (0.43) DRD2DRD4DRD3ALOX5HCAR2
SCHEMBL16611111 0.76 DRD2 (0.60) DRD2DRD4DRD3ALDH1A1GAA
SCHEMBL1812388 0.71 KDM4E (0.43) KDM4EALDH1A1GAAPOLB
SCHEMBL1232698 0.69 TRIM24 (0.53) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL1232697 0.69 TRIM24 (0.53) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL308586 0.69 DRD2 (0.64) DRD2DRD4DRD3ALDH1A1GAA
SCHEMBL10405509 0.68 HCAR2 (0.41) DRD2DRD4DRD3ALOX5HCAR2
SCHEMBL10405508 0.68 HCAR2 (0.41) DRD2DRD4DRD3ALOX5HCAR2
SCHEMBL31597578 0.67 ABCG2 (0.57) ALDH1A1MAPT
SCHEMBL30612395 0.67 KDM4E (0.52) KDM4EALDH1A1GAAPOLB

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 DRD2 4477/4885DRD4 4802/4885DRD3 4255/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 DRD2 4477/4885DRD4 4802/4885DRD3 4255/4885

“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.