SCHEMBL6808220

SCHEMBL6808220

CCNC(=O)c1cccc(CNC(c2ccccn2)C2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.42
CHRM2 P08172 1/20 0.41
MMP13 P45452 2/20 0.40
ROCK1 Q13464 5/20 0.40
ALOX15 P16050 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
PARP1 P09874 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
BRD4 O60885 1/20 0.39
EPHX1 P07099 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
F2RL1 P55085 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6803422 0.79 CTSS (0.52) SMN1; SMN2EPHX1HPGDRAB9A
SCHEMBL6802479 0.74 CTSS (0.43) HDAC6HPGDRAB9AMEN1ALDH1A1
SCHEMBL19954190 0.74 MEP1B (0.51) ROCK2CHRM2MMP13ROCK1PARP1
SCHEMBL6808965 0.72 TSHR (0.47) SMN1; SMN2RAB9AMEN1ALDH1A1KMT2A
SCHEMBL6180760 0.71 NPC1 (0.47) HDAC6HPGDRAB9AALDH1A1KMT2A
SCHEMBL6808215 0.70 SLC6A9 (0.49) ROCK2ROCK1PARP1SMN1; SMN2ALDH1A1
SCHEMBL6184297 0.70 NMBR (0.40)
SCHEMBL6807801 0.69 KCNA5 (0.39) HDAC6SMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL13702363 0.68 RAB9A (0.68) ALOX15SMN1; SMN2HPGDRAB9AALDH1A1
SCHEMBL14863635 0.68 L3MBTL1 (0.46) HDAC6RAB9AMEN1ALDH1A1KMT2A

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 ROCK2 3753/4885CHRM2 253/4885MMP13 3219/4885

“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.