SCHEMBL5353352

SCHEMBL5353352

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.41
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
DRD3 P35462 4/20 0.39
SIGMAR1 Q99720 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
HTR1A P08908 2/20 0.39
ADRA2A P08913 2/20 0.39
CYP2D6 P10635 2/20 0.39
CHRM1 P11229 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
CHRM3 P20309 2/20 0.39
SLC6A2 P23975 2/20 0.39
HTR2A P28223 2/20 0.39
SLC6A4 P31645 2/20 0.39
ADRA1A P35348 2/20 0.39
HRH1 P35367 2/20 0.39
OPRM1 P35372 2/20 0.39

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
SCHEMBL5464718 0.93 DRD2 (0.43) DRD2TSHRSMN1; SMN2DRD3SIGMAR1
SCHEMBL5332015 0.92 DRD2 (0.45) DRD2TSHRDRD3SIGMAR1CYP1A2
SCHEMBL5351797 0.85 DRD2 (0.37) DRD2TACR1
SCHEMBL5353355 0.80 LMNA (0.40) DRD2TSHRSMN1; SMN2SIGMAR1LMNA
SCHEMBL14387114 0.80 LMNA (0.40) DRD2TSHRSMN1; SMN2SIGMAR1LMNA
SCHEMBL5326953 0.79 CCR2 (0.44) DRD2DRD3SIGMAR1DRD4
SCHEMBL5328485 0.78 DRD2 (0.38) DRD2HTR1AHTR2AOPRM1CHRM4
SCHEMBL5326988 0.78 DRD2 (0.39) DRD2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL5333448 0.77 TACR1 (0.36) SIGMAR1ADRA2ACHRM1CHRM3CHRM2
SCHEMBL5349966 0.77 CCR2 (0.47) DRD2OPRM1OPRK1CHRM2

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 284/4885TSHR 2085/4885SMN1; SMN2 3304/4885

“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.