SCHEMBL5354889

SCHEMBL5354889

O=C(C=CN1CCC(O)(C(O)CN2CCC(c3c[nH]c4ccc(N5CCOCC5)cc34)CC2)CC1)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
HTR1D P28221 9/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BACE1 P56817 1/20 0.38
HTR1B P28222 6/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCR2 P41597 1/20 0.36
RAD52 P43351 1/20 0.36
CHRM2 P08172 1/20 0.35

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
SCHEMBL5351144 0.94 OPRM1 (0.37) OPRM1OPRK1OPRL1HTR1DMAPT
SCHEMBL5369254 0.93 CCR2 (0.40) HTR1DMAPTKDM4EHTR1BCCR2
SCHEMBL5456881 0.93 HTR1D (0.46) HTR1DMAPTKDM4EALDH1A1KMT2A
SCHEMBL5349231 0.92 HTR1D (0.40) HTR1DMAPTKDM4EKMT2AHTR1B
SCHEMBL5364193 0.90 HTR1D (0.41) OPRM1OPRK1OPRL1HTR1DKMT2A
SCHEMBL5353456 0.90 HTR1D (0.39) HTR1DMAPTKDM4EKMT2AHTR1B
SCHEMBL5353063 0.90 HTR1D (0.39) HTR1DKMT2AHTR1BCCR2CHRM2
SCHEMBL5357738 0.89 HTR1D (0.36) HTR1DMAPTKDM4EALDH1A1KMT2A
SCHEMBL5393661 0.89 KMT2A (0.39) HTR1DMAPTKDM4EALDH1A1KMT2A
SCHEMBL5352454 0.89 CCR2 (0.38) HTR1DMAPTKDM4EALDH1A1KMT2A

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
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.