SCHEMBL16610852

SCHEMBL16610852

COc1nccc2c1c(-c1cccc(CN3CCCC3)c1)nn2-c1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.43
CNR2 P34972 5/20 0.43
DRD2 P14416 6/20 0.40
DRD4 P21917 6/20 0.40
DRD3 P35462 6/20 0.40
LRRK2 Q5S007 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KDM5B Q9UGL1 1/20 0.36
GAA P10253 1/20 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
SCHEMBL16611229 0.85 LRRK2 (0.33) LRRK2
SCHEMBL16611034 0.85 SRC (0.39) LRRK2KDM5B
SCHEMBL16611438 0.84 HTR7 (0.38) LRRK2
SCHEMBL16611506 0.83 PIK3CG (0.41) LRRK2KDM5B
SCHEMBL16611570 0.82 PPARD (0.38)
SCHEMBL16611422 0.81 LRRK2 (0.38) LRRK2
SCHEMBL16610798 0.80 LRRK2 (0.35) LRRK2
SCHEMBL16611482 0.79 MEN1 (0.46) DRD2DRD4DRD3KDM4E
SCHEMBL16611219 0.77 KDM5B (0.39) CNR1CNR2DRD2DRD4DRD3
SCHEMBL16610973 0.75 PIK3CG (0.37) LRRK2KDM4EKDM5B

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 CNR1 3168/4885CNR2 2611/4885DRD2 4477/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 CNR1 3168/4885CNR2 2611/4885DRD2 4477/4885

“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.