SCHEMBL5527155

SCHEMBL5527155

CCc1nc(C(N)C2CCN(Cc3ccccc3)CC2)c2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.44
LMNA P02545 4/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NTSR1 P30989 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NCF1 P14598 1/20 0.42
NSD2 O96028 1/20 0.41
CCR3 P51677 1/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5534933 0.76 LMNA (0.70) ACHELMNAMAPTKMT2AHTT
SCHEMBL14437444 0.76 SCN9A (0.50) ACHELMNAMAPTKMT2AHTT
SCHEMBL5527163 0.75 SMN1; SMN2 (0.51) ACHELMNAMAPTKMT2AHTT
SCHEMBL5527158 0.74 ACHE (0.57) ACHELMNAMAPTKMT2AHTT
SCHEMBL6659191 0.73 ACHE (0.56) ACHEKDM4ECCR3
Fumaric Acid SCHEMBL8575266 0.72 HTR2A (0.46)
SCHEMBL4636684 0.72 ACHE (0.62) ACHELMNACCR3
SCHEMBL3110884 0.69 RAB9A (0.39) LMNAMAPTKMT2AHTTNPSR1
SCHEMBL3116669 0.69 RAB9A (0.39) LMNAMAPTKMT2AHTTNPSR1
SCHEMBL11200232 0.69 ACHE (0.50) ACHEMAPTHTTKDM4EALDH1A1

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-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 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-20070197509-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 ACHE 297/4885LMNA 1443/4885MAPT 1841/4885

“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.