SCHEMBL5456881

SCHEMBL5456881

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 0.46
HTR1B P28222 10/20 0.45
CHRM2 P08172 1/20 0.43
DRD2 P14416 1/20 0.43
HTR1A P08908 1/20 0.40
HTR1F P30939 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PRKDC P78527 1/20 0.39
HSD11B1 P28845 1/20 0.38
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL5364193 0.94 HTR1D (0.41) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL5349231 0.93 HTR1D (0.40) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL5354889 0.93 OPRM1 (0.39) HTR1DHTR1BCHRM2DRD2MAPT
SCHEMBL5353063 0.93 HTR1D (0.39) HTR1DHTR1BCHRM2DRD2KMT2A
SCHEMBL5353456 0.91 HTR1D (0.39) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL5369254 0.91 CCR2 (0.40) HTR1DHTR1BDRD2HTR1AHTR1F
SCHEMBL5352999 0.90 HTR1D (0.38) HTR1DHTR1BCHRM2DRD2PRKDC
SCHEMBL5351144 0.90 OPRM1 (0.37) HTR1DHTR1BCHRM2DRD2MAPT
SCHEMBL5393661 0.90 KMT2A (0.39) HTR1DHTR1BCHRM2DRD2MAPT
SCHEMBL5357738 0.89 HTR1D (0.36) HTR1DHTR1BCHRM2DRD2MAPT

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 2 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
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.