SCHEMBL16611832

SCHEMBL16611832

COc1nccc2c1c(=O)[nH]n2C1CCCOC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.41
OPRM1 P35372 4/20 0.36
ATM Q13315 2/20 0.35
ATR Q13535 1/20 0.35
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL16611526 0.93 LRRK2 (0.47) LRRK2OPRM1DDB1CRBN
SCHEMBL16610992 0.87 ALDH1A1 (0.42) LRRK2OPRM1DDB1CRBNALDH1A1
SCHEMBL16610842 0.86 LRRK2 (0.45) LRRK2DDB1CRBN
SCHEMBL16611007 0.86 ALDH1A1 (0.44) LRRK2OPRM1DDB1CRBNALDH1A1
SCHEMBL16611264 0.70 LRRK2 (0.35) LRRK2OPRM1
SCHEMBL16610982 0.69 EGFR (0.41) LRRK2OPRM1
SCHEMBL16610783 0.67 LRRK2 (0.48) LRRK2
SCHEMBL16610860 0.67 LRRK2 (0.33) LRRK2DDB1CRBN
SCHEMBL16610740 0.65 MAPT (0.45)
SCHEMBL16610909 0.63 LRRK2 (0.40) LRRK2

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 LRRK2 1393/4885OPRM1 4759/4885ATM 2274/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 LRRK2 1393/4885OPRM1 4759/4885ATM 2274/4885

“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.