SCHEMBL6808215

SCHEMBL6808215

CCNC(=O)c1cccc(CNCC2(c3ccccn3)CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 7/20 0.49
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HTR5A P47898 1/20 0.41
HTR6 P50406 1/20 0.41
ROCK2 O75116 3/20 0.41
ROCK1 Q13464 2/20 0.41
OPRM1 P35372 1/20 0.41
TP53 P04637 1/20 0.40
NMBR P28336 1/20 0.40
PARP1 P09874 1/20 0.40
LMNA P02545 2/20 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
SCHEMBL18886929 0.80 OPRM1 (0.69) OPRM1
SCHEMBL6249722 0.78 OPRM1 (0.56) OPRM1
SCHEMBL6184290 0.75 NMBR (0.46) SLC6A9TP53NMBR
SCHEMBL6802473 0.74 OPRM1 (0.47) ALDH1A1OPRM1NMBR
SCHEMBL6180757 0.73 SLC6A9 (0.49) SLC6A9NMBRLMNA
SCHEMBL6808963 0.71 OPRM1 (0.44) ALDH1A1SMN1; SMN2OPRM1TP53
SCHEMBL18887077 0.70 OPRM1 (0.71) OPRM1
SCHEMBL6808220 0.70 ROCK2 (0.42) ALDH1A1SMN1; SMN2ROCK2ROCK1PARP1
SCHEMBL17790216 0.68 PARP1 (0.53) ALDH1A1SMN1; SMN2GAAROCK2ROCK1
SCHEMBL6275107 0.68 ALDH1A1 (0.44) ALDH1A1OPRM1NMBR

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-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR SLC6A9 1049/4885ALDH1A1 3777/4885SMN1; SMN2 1091/4885

“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.