SCHEMBL5322832

SCHEMBL5322832

CC(=O)Nc1ccc2[nH]cc(C3CCN(CC(O)C4CCN(C(=O)OCc5ccccc5)CC4)CC3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 19/20 0.54
HTR1B P28222 16/20 0.54
HTR1A P08908 1/20 0.54
HTR1F P30939 1/20 0.54
CCR2 P41597 1/20 0.48
CHRM2 P08172 1/20 0.45
DRD2 P14416 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
SCHEMBL5456752 0.88 HTR1D (0.62) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL5328392 0.87 OPRM1 (0.46) HTR1DHTR1BCCR2DRD2
SCHEMBL5331468 0.86 HTR1D (0.54) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL5353061 0.83 HTR1D (0.64) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL14441483 0.79 CCR2 (0.60) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL14441462 0.78 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL5466905 0.77 CCR2 (0.55) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL27481407 0.76 HTR1D (0.68) HTR1DHTR1BHTR1AHTR1F
SCHEMBL5322708 0.75 CCR2 (0.52) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL5323484 0.75 KMT2A (0.61) CCR2DRD2

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 6 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
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
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 HTR1D 804/4885HTR1B 680/4885HTR1A 1112/4885

“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.