SCHEMBL5328673

SCHEMBL5328673

OCC(CC1CCN(C(O)=S)CC1)N1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
BRD4 O60885 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
CREBBP Q92793 1/20 0.51
CCR2 P41597 11/20 0.48
CHRM4 P08173 1/20 0.47
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
HSD11B1 P28845 1/20 0.45

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
SCHEMBL5327055 0.90 KDM4E (0.56) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5328670 0.87 KDM4E (0.55) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5331458 0.85 HTR2C (0.57) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5266373 0.84 CCR2 (0.65) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5365548 0.82 KDM4E (0.53) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL14387082 0.82 CCR2 (0.50) KDM4EBRD4ALDH1A1POLBCREBBP
Trifluoroacetic Acid SCHEMBL5462117 0.80 KMT2A (0.49) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5346966 0.78 CCR2 (0.77) CCR2
SCHEMBL14386916 0.78 CCR2 (0.77) CCR2
SCHEMBL14386890 0.78 CCR2 (0.77) CCR2

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 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.