SCHEMBL3324549

SCHEMBL3324549

Cc1ccc(OC[C@H]2CCCNC2)c(Oc2ccccc2C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.46
CHUK O15111 2/20 0.46
PIM1 P11309 2/20 0.46
PIM2 Q9P1W9 2/20 0.46
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
HTR1A P08908 1/20 0.42
SLC6A3 Q01959 1/20 0.40
IRAK4 Q9NWZ3 3/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CDC42BPB Q9Y5S2 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CTSS P25774 1/20 0.39
GHSR Q92847 1/20 0.38
MAP2K1 Q02750 1/20 0.38
KDM1A O60341 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
SCHEMBL3324556 1.00 IKBKB (0.46) IKBKBCHUKPIM1PIM2SLC6A2
SCHEMBL3323982 0.90 IKBKB (0.43) IKBKBCHUKPIM1PIM2IRAK4
SCHEMBL3323985 0.90 IKBKB (0.43) IKBKBCHUKPIM1PIM2IRAK4
SCHEMBL3325029 0.90 CHRNB4 (0.45) IKBKBCHUKPIM1PIM2SLC6A2
SCHEMBL3325033 0.90 CHRNB4 (0.45) IKBKBCHUKPIM1PIM2SLC6A2
SCHEMBL3326074 0.89 IKBKB (0.45) IKBKBCHUKPIM1PIM2SLC6A2
SCHEMBL3320736 0.89 IKBKB (0.45) IKBKBCHUKPIM1PIM2SLC6A2
SCHEMBL3321236 0.89 IKBKB (0.51) IKBKBCHUKPIM1PIM2SLC6A2
SCHEMBL3321243 0.89 IKBKB (0.51) IKBKBCHUKPIM1PIM2SLC6A2
SCHEMBL3321355 0.88 IKBKB (0.42) IKBKBCHUKPIM1PIM2IRAK4

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-20100120858-A1 Piperidine Derivatives PFIZER INC. 2010-05-13 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-20100120858-A1 Piperidine Derivatives P2RX5, P2RX7, P2RX1 IKBKB 1359/4885CHUK 2338/4885PIM1 3450/4885

“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.