SCHEMBL5357344

SCHEMBL5357344

O=C(C=CN1CCC(O)(C(O)CN2CCC(c3c[nH]c4ccccc34)CC2)CC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
CCR2 P41597 10/20 0.49
KCNH2 Q12809 1/20 0.46
CTSS P25774 2/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HTR2A P28223 3/20 0.40
HTR7 P34969 3/20 0.40
DRD2 P14416 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL5354331 0.94 KMT2A (0.52) KMT2ACCR2KCNH2CTSSALDH1A1
SCHEMBL5361911 0.90 KMT2A (0.49) KMT2ACCR2ALDH1A1HTR2AHTR7
SCHEMBL5345720 0.87 KMT2A (0.49) KMT2ACCR2ALDH1A1HTR2AHTR7
SCHEMBL5349167 0.87 KMT2A (0.50) KMT2ACCR2ALDH1A1HTR2AHTR7
SCHEMBL5359183 0.86 CCR2 (0.51) KMT2ACCR2
SCHEMBL5352711 0.86 CCR2 (0.53) KMT2ACCR2KCNH2HDAC3HDAC4
SCHEMBL5347627 0.86 KMT2A (0.48) KMT2ACCR2ALDH1A1HTR2AHTR7
SCHEMBL5360107 0.85 CCR2 (0.48) KMT2ACCR2HTR2AHTR7DRD2
SCHEMBL5364459 0.84 KMT2A (0.47) KMT2ACCR2HTR2AHTR7DRD2
SCHEMBL5351547 0.83 KMT2A (0.47) KMT2ACCR2ALDH1A1HTR2AHTR7

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 4 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
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 KMT2A 2990/4885CCR2 1/4885KCNH2 2884/4885

“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.