SCHEMBL3324487

SCHEMBL3324487

COc1cc(F)ccc1Oc1nc(C)ccc1OC[C@H]1CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 6/20 0.41
CCNT1 O60563 5/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
SCN9A Q15858 1/20 0.41
CTSS P25774 1/20 0.41
KIT P10721 1/20 0.40
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
IRAK4 Q9NWZ3 3/20 0.39
SYK P43405 2/20 0.39
KCNH2 Q12809 2/20 0.39
AURKB Q96GD4 2/20 0.39
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
KDM1A O60341 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
SCHEMBL3324490 1.00 CDK9 (0.41) CDK9CCNT1IKBKBCHUKSCN9A
SCHEMBL3325580 0.91 SCN9A (0.46) IKBKBCHUKSCN9ACTSSIRAK4
SCHEMBL3321355 0.91 IKBKB (0.42) IKBKBCHUKSCN9ACTSSIRAK4
SCHEMBL3321349 0.91 IKBKB (0.42) IKBKBCHUKSCN9ACTSSIRAK4
SCHEMBL3324507 0.91 KDM1A (0.42) IKBKBCHUKCTSSKITIRAK4
SCHEMBL3325572 0.91 SCN9A (0.46) IKBKBCHUKSCN9ACTSSIRAK4
SCHEMBL3329442 0.91 KDM1A (0.42) IKBKBCHUKCTSSKITIRAK4
SCHEMBL3325033 0.90 CHRNB4 (0.45) IKBKBCHUKKITCHRNB4CHRNA3
SCHEMBL3325029 0.90 CHRNB4 (0.45) IKBKBCHUKKITCHRNB4CHRNA3
SCHEMBL3324999 0.89 SLC6A4 (0.45) IKBKBCHUKCTSSKITIRAK4

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 CDK9 2399/4885CCNT1 1046/4885IKBKB 1359/4885

“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.