SCHEMBL3641995

SCHEMBL3641995

N#Cc1ccc(CC(=O)NC2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.67
SIGMAR1 Q99720 10/20 0.58
CCR2 P41597 1/20 0.56
CACNA1F O60840 1/20 0.55
HTR1A P08908 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
DRD2 P14416 1/20 0.55
CNR1 P21554 1/20 0.55
DRD1 P21728 1/20 0.55
DRD4 P21917 1/20 0.55
DRD5 P21918 1/20 0.55
SLC6A2 P23975 1/20 0.55
HRH2 P25021 1/20 0.55
ADRA1D P25100 1/20 0.55
HTR1B P28222 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HTR7 P34969 1/20 0.55
ADRA1A P35348 1/20 0.55
HRH1 P35367 1/20 0.55

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
SCHEMBL7243378 0.89 SIGMAR1 (0.72) CCR5SIGMAR1
SCHEMBL13929213 0.89 CCR5 (0.58) CCR5SIGMAR1
SCHEMBL13929356 0.87 SIGMAR1 (0.69) CCR5SIGMAR1
SCHEMBL13929348 0.86 SIGMAR1 (0.69) CCR5SIGMAR1CNR1
SCHEMBL13929349 0.86 CCR5 (0.72) CCR5SIGMAR1
SCHEMBL13929351 0.86 L3MBTL1 (0.69) CCR5SIGMAR1
SCHEMBL13929321 0.86 SIGMAR1 (0.71) CCR5SIGMAR1CNR1
SCHEMBL13929467 0.84 SIGMAR1 (0.59) CCR5SIGMAR1
SCHEMBL3671761 0.84 SIGMAR1 (0.59) CCR5SIGMAR1
SCHEMBL13929211 0.84 SIGMAR1 (0.69) CCR5SIGMAR1CCR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173715-A2 USE OF PIPERIDINE DERIVATIVES AS AGONISTS OF CHEMOKINE RECEPTOR ACTIVITY Euroscreen S.A. (BE) 2010-04-14 EP disclosed
US-20090054451-A1 Use of Piperidine Derivatives as Agonists of Chemokine Receptor Activity EUROSCREEN S.A. (BE) 2009-02-26 US disclosed
US-20090054451-A1 Use of Piperidine Derivatives as Agonists of Chemokine Receptor Activity EUROSCREEN S.A. (BE) 2009-02-26 US disclosed
US-20090054451-A1 Use of Piperidine Derivatives as Agonists of Chemokine Receptor Activity EUROSCREEN S.A. (BE) 2009-02-26 US disclosed
WO-2009010478-A2 USE OF PIPERIDINE DERIVATIVES AS AGONISTS OF CHEMOKINE RECEPTOR ACTIVITY EUROSCREEN S.A. (BE) 2009-01-22 WO 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-20090054451-A1 Use of Piperidine Derivatives as Agonists of Chemokine Receptor Activity ACKR3, CCR5, CCR7 CCR5 2/4885SIGMAR1 129/4885CCR2 4/4885

“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.