SCHEMBL15899271

SCHEMBL15899271

CC(C)Cn1c2c(c3cc(N)ccc31)CCCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.54
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
KDM4E B2RXH2 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
NTSR1 P30989 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 1/20 0.43
BCHE P06276 3/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL15899412 0.84 HTR6 (0.57) HTR6KMT2AMEN1KDM4EMAPK1
SCHEMBL15899530 0.82 HTR6 (0.55) HTR6KMT2AMEN1KDM4EMAPK1
SCHEMBL6754538 0.78 HTR6 (0.45) HTR6KMT2AMEN1KDM4EL3MBTL1
SCHEMBL15899423 0.78 SCARB1 (0.56) KMT2AMEN1KDM4EL3MBTL1MAPK1
SCHEMBL13677430 0.78 HTR6 (0.51) HTR6KMT2AMEN1KDM4EL3MBTL1
SCHEMBL10738401 0.76 HTR6 (0.70) HTR6KMT2AMEN1PTGS1PTGS2
SCHEMBL10152246 0.76 HSD17B10 (0.76) HTR6KMT2AMEN1KDM4EHSD17B10
SCHEMBL14624291 0.75 HTR6 (0.59) HTR6KMT2AMEN1KDM4EMAPK1
SCHEMBL19189843 0.74 PTGDR2 (0.51) KMT2AMEN1KDM4EMAPK1HSD17B10
SCHEMBL906131 0.73 BCHE (0.53) HTR6KMT2AMEN1KDM4EL3MBTL1

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
EP-2759533-B1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-08-02 EP disclosed
US-9120776-B2 Condensed heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-01 US disclosed
US-20140228409-A1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
EP-2759533-A1 CONDENSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-07-30 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-20140228409-A1 CONDENSED HETEROCYCLIC COMPOUND RORC, RORB, RORA HTR6 2372/4885KMT2A 180/4885MEN1 2264/4885

“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.