SCHEMBL6859232

SCHEMBL6859232

C[C@@H]1CN(c2ccc(C#N)cn2)[C@@H](C)CN1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SGPL1 O95470 6/20 0.42
SMO Q99835 5/20 0.42
PARP1 P09874 2/20 0.39
CHRM1 P11229 1/20 0.38
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 2/20 0.37
JAK3 P52333 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
TLR9 Q9NR96 3/20 0.37
TLR8 Q9NR97 3/20 0.37
TLR7 Q9NYK1 3/20 0.37

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
SCHEMBL6859229 1.00 HDAC1 (0.47) HDAC1KDM4EALDH1A1L3MBTL1SGPL1
SCHEMBL3599737 1.00 HDAC1 (0.47) HDAC1KDM4EALDH1A1L3MBTL1SGPL1
SCHEMBL23232261 0.85 SGPL1 (0.45) HDAC1KDM4EALDH1A1L3MBTL1SGPL1
SCHEMBL23744665 0.82 ROCK2 (0.39) HDAC1KDM4EALDH1A1L3MBTL1CHRM1
SCHEMBL23744666 0.82 ROCK2 (0.39) HDAC1KDM4EALDH1A1L3MBTL1CHRM1
SCHEMBL23744674 0.82 ROCK2 (0.39) HDAC1KDM4EALDH1A1L3MBTL1CHRM1
SCHEMBL26087094 0.82 ROCK2 (0.39) HDAC1KDM4EALDH1A1L3MBTL1CHRM1
SCHEMBL1108652 0.80 HDAC1 (0.51) HDAC1TLR9TLR8TLR7
SCHEMBL23744785 0.80 HDAC1 (0.41) HDAC1JAK2JAK1TYK2JAK3
SCHEMBL14612946 0.80 SGPL1 (0.47) KDM4EALDH1A1L3MBTL1SGPL1SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040010037-A1 Cyanophenyl derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2004-01-15 US claimed

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-20040010037-A1 Cyanophenyl derivative BPHL, AR, KLK3 HDAC1 64/4885KDM4E 892/4885ALDH1A1 1496/4885

“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.