SCHEMBL3323340

SCHEMBL3323340

COc1ccc(Oc2nc(C)ccc2OCC2CCCNC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.43
CHUK O15111 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
EED O75530 1/20 0.42
MAP2K1 Q02750 1/20 0.42
PIM1 P11309 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL3323336 1.00 IKBKB (0.43) IKBKBCHUKTDP1CCNB2CDK1
SCHEMBL3324151 0.92 KDM1A (0.46) IKBKBCHUKMAP2K1PIM1PIM2
SCHEMBL3324175 0.92 KDM1A (0.46) IKBKBCHUKMAP2K1PIM1PIM2
SCHEMBL3325161 0.90 NPY1R (0.42) IKBKBCHUKMAP2K1PIM1PIM2
SCHEMBL3325155 0.90 NPY1R (0.42) IKBKBCHUKMAP2K1PIM1PIM2
SCHEMBL3325127 0.90 GHSR (0.43) IKBKBCHUKMAP2K1PIM1PIM2
SCHEMBL3326758 0.90 GHSR (0.43) IKBKBCHUKMAP2K1PIM1PIM2
SCHEMBL3321243 0.90 IKBKB (0.51) IKBKBCHUKEEDMAP2K1PIM1
SCHEMBL3321236 0.90 IKBKB (0.51) IKBKBCHUKEEDMAP2K1PIM1
SCHEMBL3324472 0.89 EED (0.43) IKBKBCHUKEEDMAP2K1PIM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120858-A1 Piperidine Derivatives PFIZER INC. 2010-05-13 US disclosed
EP-2066630-A1 PIPERIDINE DERIVATIVES Pfizer Products Incorporated (US) 2009-06-10 EP disclosed
WO-2008023258-A1 PIPERIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-28 WO 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 2338/4885TDP1 3188/4885

“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.