SCHEMBL3057935

SCHEMBL3057935

CN1CCN(c2ccc(CNC(N)=O)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.49
KLK1 P06870 1/20 0.49
SMO Q99835 1/20 0.49
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
AOC3 Q16853 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ACE2 Q9BYF1 1/20 0.44
RECQL P46063 1/20 0.43
NAMPT P43490 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC1 Q13547 1/20 0.43
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
PARP1 P09874 2/20 0.42

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
SCHEMBL8162830 0.85 SMO (0.50) KLKB1KLK1SMORAB9AL3MBTL1
SCHEMBL8186876 0.82 RAB9A (0.66) KLKB1KLK1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL8181502 0.81 RAB9A (0.67) KLKB1KLK1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL25156908 0.79 HTR3A (0.44) KLKB1KLK1SMORAB9AL3MBTL1
SCHEMBL20807435 0.79 KMT2A (0.61) RAB9AL3MBTL1ACE2MEN1KMT2A
SCHEMBL12675278 0.77 HTR3A (0.47) RAB9AL3MBTL1AOC3KMT2A
SCHEMBL11988947 0.77 SMO (0.52) SMORAB9AL3MBTL1AOC3SMN1; SMN2
SCHEMBL1431034 0.77 RAB9A (0.67) RAB9AL3MBTL1SMN1; SMN2KMT2A
SCHEMBL25518000 0.77 HRH4 (0.45) SMORAB9AL3MBTL1AOC3SMN1; SMN2
SCHEMBL1331780 0.76 RAB9A (0.64) KLKB1KLK1RAB9AL3MBTL1SMN1; 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-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S KLKB1 2501/4885KLK1 2374/4885SMO 3210/4885

“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.