SCHEMBL5358772

SCHEMBL5358772

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
HSD11B1 P28845 1/20 0.48
ADRA1D P25100 4/20 0.48
HTR2A P28223 3/20 0.48
HTR7 P34969 3/20 0.48
DRD2 P14416 1/20 0.48
KDM4E B2RXH2 1/20 0.47
BRD4 O60885 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
CREBBP Q92793 1/20 0.47
SLC6A4 P31645 1/20 0.47
CHRM4 P08173 1/20 0.46

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 0.90 KMT2A (0.58) KMT2AHSD11B1ADRA1DHTR2AHTR7
SCHEMBL5358767 0.87 KMT2A (0.57) KMT2AHSD11B1ADRA1DHTR2AHTR7
SCHEMBL5357030 0.86 KMT2A (0.62) KMT2AADRA1DHTR2AHTR7DRD2
SCHEMBL5355885 0.84 KMT2A (0.51) KMT2AHSD11B1ADRA1DHTR2AHTR7
SCHEMBL14386515 0.84 CCR2 (0.50) KMT2AADRA1DKDM4EBRD4ALDH1A1
SCHEMBL5326744 0.83 KMT2A (0.61) KMT2AADRA1DHTR2AHTR7DRD2
SCHEMBL5356266 0.82 KMT2A (0.39) KMT2AHSD11B1KDM4EALDH1A1
SCHEMBL14387072 0.82 CCR2 (0.54) KMT2ACHRM4
SCHEMBL14386915 0.80 CCR2 (0.64) KMT2ACHRM4
SCHEMBL14387103 0.79 CCR2 (0.65)

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 2990/4885HSD11B1 1395/4885ADRA1D 330/4885

“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.