SCHEMBL5352889

SCHEMBL5352889

O=C(C=CN1CCC(C(O)CN2CCC(c3c[nH]c4ccccc34)CC2)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.55
SLC2A1 P11166 2/20 0.49
KMT2A Q03164 1/20 0.49
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 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
SCHEMBL5353497 0.88 CCR2 (0.52) CCR2
SCHEMBL5350032 0.87 CCR2 (0.49) CCR2KMT2AHTR2AHTR7HDAC3
SCHEMBL5351353 0.87 KMT2A (0.52) CCR2KMT2AHTR2AHTR7HDAC3
SCHEMBL7702544 0.87 CCR2 (0.62) CCR2SLC2A1HDAC3HDAC4HDAC1
SCHEMBL5352711 0.87 CCR2 (0.53) CCR2SLC2A1KMT2AHDAC3HDAC4
SCHEMBL7697546 0.85 SLC2A1 (0.60) CCR2SLC2A1HDAC3HDAC4HDAC1
SCHEMBL7700232 0.84 SLC2A1 (0.69) CCR2SLC2A1
SCHEMBL5357764 0.82 TACR2 (0.49) KMT2A
SCHEMBL5352891 0.82 CCR2 (0.75) CCR2SLC2A1
SCHEMBL14387004 0.82 CCR2 (0.75) CCR2SLC2A1

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
WO-2007130712-A1 SUBSTITUTED DIPIPERIDINE AS CCR2 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, NV (BE) 2007-11-15 WO disclosed
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 CCR2 1/4885SLC2A1 2264/4885KMT2A 2990/4885

“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.