SCHEMBL6729461

SCHEMBL6729461

CCN1CCN(c2csc(-c3cccc(C=O)c3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.46
CHRNA7 P36544 1/20 0.41
HTR7 P34969 1/20 0.40
PTK2 Q05397 5/20 0.37
DRD3 P35462 3/20 0.37
DRD2 P14416 3/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
CYP2D6 P10635 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HTR6 P50406 1/20 0.37
GAA P10253 2/20 0.37
RAD52 P43351 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL29946558 0.79 CHRNA7 (0.57) CHRNA7HTR7DRD2GAARAD52
SCHEMBL29126309 0.79 CHRNA7 (0.57) CHRNA7HTR7DRD2GAARAD52
SCHEMBL5356967 0.70 ALDH1A1 (0.66) CHRNA7DRD2GAARAD52KDM4E
SCHEMBL21558444 0.64 TRIM24 (0.61) HTR7KDM4ESMN1; SMN2
SCHEMBL23048714 0.64 HRH3 (0.41) CHRNA7DRD3DRD2DRD4GAA
SCHEMBL29442412 0.63 ALDH1A1 (0.64) HTR7DRD3HTR6GAAKDM4E
SCHEMBL10294634 0.63 KCNH2 (0.69) CHRNA7KCNH2
SCHEMBL1444185 0.63 ALDH1A1 (0.64) HTR7DRD3HTR6GAAKDM4E
SCHEMBL31003568 0.63 CHRNA7 (0.53) CHRNA7HTR7DRD3DRD2GAA
SCHEMBL15652776 0.63 HSD11B1 (0.66) KDM4ESMN1; SMN2

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-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US 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-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 AR 2123/4885CHRNA7 38/4885HTR7 17/4885

“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.