SCHEMBL16611111

SCHEMBL16611111

O=Cc1cccn1C1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.60
DRD4 P21917 3/20 0.60
DRD3 P35462 3/20 0.60
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
ATM Q13315 1/20 0.40
POLB P06746 2/20 0.35
GLA P06280 1/20 0.35
ALDH1A1 P00352 6/20 0.34
SLC18A3 Q16572 1/20 0.33
GAA P10253 1/20 0.33
S1PR4 O95977 1/20 0.33

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
SCHEMBL308586 0.92 DRD2 (0.64) DRD2DRD4DRD3TRIM24TRIM33
SCHEMBL16610749 0.76 DRD2 (0.43) DRD2DRD4DRD3POLBALDH1A1
SCHEMBL16610748 0.76 DRD2 (0.43) DRD2DRD4DRD3POLBALDH1A1
SCHEMBL28035388 0.70 NPC1 (0.40) DRD2DRD4DRD3POLBGLA
SCHEMBL3188494 0.69 TRIM24 (0.44) DRD2DRD4DRD3TRIM24TRIM33
SCHEMBL30558157 0.68 KDM5A (0.39) DRD2DRD4DRD3ALDH1A1
SCHEMBL29287218 0.68 SLC18A3 (0.39) ALDH1A1SLC18A3GAA
SCHEMBL8139572 0.68 SLC18A3 (0.39) ALDH1A1SLC18A3GAA
SCHEMBL15797759 0.68 ALDH1A1 (0.40) ALDH1A1SLC18A3
SCHEMBL24915363 0.68 DRD2 (0.41) DRD2DRD4DRD3TRIM24TRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104507940-B Heterocyclic compounds 武田药品工业株式会社 2017-01-25 CN disclosed
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
CN-104507940-A Heterocyclic compounds TAKEDA PHARMACEUTICAL 2015-04-08 CN 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.