SCHEMBL5326744

SCHEMBL5326744

OC(=S)N1CCC(C(O)CN2CCC(c3c[nH]c4ccccc34)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
KDM4E B2RXH2 1/20 0.53
BRD4 O60885 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
CREBBP Q92793 1/20 0.53
HTR2A P28223 3/20 0.52
HTR7 P34969 3/20 0.52
DRD2 P14416 1/20 0.52
ADRA1D P25100 4/20 0.51
CCR2 P41597 1/20 0.49
SLC6A4 P31645 1/20 0.49
CHRM4 P08173 1/20 0.48

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
SCHEMBL5323484 0.90 KMT2A (0.61) KMT2AKDM4EBRD4ALDH1A1POLB
SCHEMBL5326741 0.87 KMT2A (0.60) KMT2AKDM4EBRD4ALDH1A1POLB
SCHEMBL5359654 0.86 KMT2A (0.62) KMT2AHTR2AHTR7DRD2ADRA1D
SCHEMBL5326779 0.85 KMT2A (0.65) KMT2AKDM4EBRD4ALDH1A1POLB
SCHEMBL5457649 0.84 KMT2A (0.64) KMT2AKDM4EBRD4ALDH1A1POLB
SCHEMBL5358772 0.83 KMT2A (0.58) KMT2AKDM4EBRD4ALDH1A1POLB
SCHEMBL14386505 0.81 KMT2A (0.49) KMT2AKDM4EBRD4ALDH1A1POLB
SCHEMBL5266373 0.81 CCR2 (0.65) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5328925 0.80 CCR2 (0.55) KMT2ACCR2
SCHEMBL14387005 0.79 CCR2 (0.73) KMT2ACCR2

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
WO-2007130712-A1 SUBSTITUTED DIPIPERIDINE AS CCR2 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, NV (BE) 2007-11-15 WO claimed
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 US claimed
WO-2007130712-A1 SUBSTITUTED DIPIPERIDINE AS CCR2 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, NV (BE) 2007-11-15 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-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS CCR2, CCR1, CCR5 KMT2A 2990/4885KDM4E 3992/4885BRD4 235/4885

“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.