SCHEMBL5349231

SCHEMBL5349231

O=C(C=CN1CCC(O)(C(O)CN2CCC(c3c[nH]c4ccc(N5CCOCC5)cc34)CC2)CC1)c1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 0.40
HTR1B P28222 10/20 0.39
CHRM2 P08172 1/20 0.38
DRD2 P14416 1/20 0.38
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
CCR2 P41597 2/20 0.35
PRKDC P78527 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1F P30939 1/20 0.35
HSD11B1 P28845 1/20 0.34
SNCA P37840 1/20 0.34

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
SCHEMBL5353456 0.94 HTR1D (0.39) HTR1DHTR1BCHRM2DRD2KMT2A
SCHEMBL5353063 0.94 HTR1D (0.39) HTR1DHTR1BCHRM2DRD2KMT2A
SCHEMBL5456881 0.93 HTR1D (0.46) HTR1DHTR1BCHRM2DRD2KMT2A
SCHEMBL5364193 0.92 HTR1D (0.41) HTR1DHTR1BCHRM2DRD2KMT2A
SCHEMBL5354889 0.92 OPRM1 (0.39) HTR1DHTR1BCHRM2DRD2KMT2A
SCHEMBL5352999 0.92 HTR1D (0.38) HTR1DHTR1BCHRM2DRD2KMT2A
SCHEMBL5369254 0.91 CCR2 (0.40) HTR1DHTR1BDRD2KDM4EMAPT
SCHEMBL5351144 0.91 OPRM1 (0.37) HTR1DHTR1BCHRM2DRD2KMT2A
SCHEMBL5350156 0.89 HTR1D (0.46) HTR1DHTR1BCHRM2DRD2CCR2
SCHEMBL5393661 0.89 KMT2A (0.39) HTR1DHTR1BCHRM2DRD2KMT2A

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 HTR1D 804/4885HTR1B 680/4885CHRM2 2685/4885

“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.