SCHEMBL5328485

SCHEMBL5328485

O=C(C=CN1CCC(O)(C(O)CN2CCC(c3ccc(F)cc3)CC2)CC1)c1cc(F)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.38
SLC18A3 Q16572 1/20 0.36
TACR1 P25103 1/20 0.35
CCR5 P51681 2/20 0.35
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
PARP14 Q460N5 1/20 0.35
CCR2 P41597 4/20 0.35
CCR1 P32246 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
MCHR1 Q99705 1/20 0.34
CHRM4 P08173 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 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
SCHEMBL5350435 0.94 DRD2 (0.41) DRD2CCR2CCR1HTR1AHTR2A
SCHEMBL5351797 0.93 DRD2 (0.37) DRD2SLC18A3TACR1CCR5TNKS
SCHEMBL5321985 0.92 TACR1 (0.38) TACR1CCR5CCR2
SCHEMBL5321973 0.91 CCR2 (0.46) DRD2CCR2
SCHEMBL5326988 0.90 DRD2 (0.39) DRD2SLC18A3CCR2CCR1
SCHEMBL5325741 0.89 DRD2 (0.40) DRD2CCR2CCR1
SCHEMBL5326953 0.86 CCR2 (0.44) DRD2SLC18A3CCR2CCR1
SCHEMBL5464718 0.85 DRD2 (0.43) DRD2TACR1HTR1AHTR2AHTR7
SCHEMBL5333448 0.84 TACR1 (0.36) TACR1CCR2
SCHEMBL5324486 0.84 CCR2 (0.46) DRD2CCR2

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 DRD2 284/4885SLC18A3 4056/4885TACR1 261/4885

“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.