SCHEMBL16857321

SCHEMBL16857321

Cc1cc2c(cc1N)OC(c1ccccn1)CC2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SNRNP200 O75643 2/20 0.37
SLC8A1 P32418 8/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTR1A P08908 2/20 0.31
HTR1D P28221 2/20 0.31

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
SCHEMBL12556044 0.81 ESR1 (0.40) ESR1ESR2ALDH1A1MAPT
SCHEMBL16856814 0.80 SNRNP200 (0.52) SNRNP200SLC8A1ESR1ESR2
SCHEMBL1933116 0.78 ESR1 (0.40) SNRNP200SLC8A1ESR1ESR2DDB1
SCHEMBL6292853 0.77 HTR1A (0.45) DDB1CRBNALDH1A1HTR1AHTR1D
SCHEMBL6291943 0.75 ESR1 (0.59) SLC8A1ESR1ESR2ALDH1A1
SCHEMBL11039123 0.75 ESR1 (0.43) SLC8A1ESR1ESR2ALDH1A1
SCHEMBL6296267 0.75 ESR2 (0.59) ESR1ESR2
SCHEMBL13820745 0.75 FFAR1 (0.42) ESR1ESR2
SCHEMBL16857079 0.72 SNRNP200 (0.51) SNRNP200SLC8A1DDB1CRBNALDH1A1
SCHEMBL13720329 0.71 LPL (0.35) SNRNP200ESR1ESR2DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299188-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-22 US disclosed
EP-2889291-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-07-01 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 (1 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-20150299188-A1 HETEROCYCLIC COMPOUND PTGIS, LIPG, FEN1 SNRNP200 3216/4885SLC8A1 1449/4885ESR1 4293/4885

“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.