SCHEMBL5328392

SCHEMBL5328392

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
CCR2 P41597 2/20 0.45
JAK2 O60674 3/20 0.44
JAK1 P23458 3/20 0.44
TYK2 P29597 2/20 0.44
JAK3 P52333 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CHRM4 P08173 1/20 0.42
BTK Q06187 1/20 0.41
KDM4E B2RXH2 1/20 0.41
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5367805 0.87 HTR1D (0.53) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL5322832 0.87 HTR1D (0.54) HTR1DHTR1BCCR2DRD2
SCHEMBL5457655 0.80 HTR1D (0.57) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL5323484 0.78 KMT2A (0.61) CCR2KMT2ACHRM4KDM4EBRD4
SCHEMBL4676594 0.77 SLC6A4 (0.53) OPRM1OPRK1OPRL1JAK2JAK1
SCHEMBL5355885 0.77 KMT2A (0.51) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL5326741 0.75 KMT2A (0.60) CCR2KMT2ACHRM4KDM4EBRD4
SCHEMBL8096479 0.75 HSD11B1 (0.55) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL14387123 0.75 KMT2A (0.49) CCR2JAK2JAK1TYK2JAK3
SCHEMBL5359654 0.75 KMT2A (0.62) OPRM1OPRK1OPRL1KMT2ACHRM4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 OPRM1 513/4885OPRK1 167/4885OPRL1 68/4885

“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.