SCHEMBL5454732

SCHEMBL5454732

O=C(O)N1CCC(O)(C(O)C(O)N2CCC(c3c[nH]c4ccccc34)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
BRD4 O60885 1/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
CREBBP Q92793 1/20 0.54
HSD11B1 P28845 1/20 0.52
CCR2 P41597 12/20 0.50
KMT2A Q03164 1/20 0.46
CHRM4 P08173 1/20 0.44
HTR2A P28223 3/20 0.44
HTR7 P34969 3/20 0.44
DRD2 P14416 1/20 0.44

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
SCHEMBL5353346 0.83 KMT2A (0.58) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5705116 0.81 KDM4E (0.78) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5266659 0.76 CCR2 (0.70) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5358767 0.74 KMT2A (0.57) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5327055 0.74 KDM4E (0.56) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5323484 0.73 KMT2A (0.61) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5358772 0.73 KMT2A (0.58) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5355885 0.72 KMT2A (0.51) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL2841057 0.72 KDM4E (0.59) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL27201572 0.71 HSD11B1 (0.64) KDM4EBRD4ALDH1A1POLBCREBBP

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-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 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-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS CCR2, CCR1, CCR5 KDM4E 3992/4885BRD4 235/4885ALDH1A1 905/4885

“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.