SCHEMBL4979867

SCHEMBL4979867

CN1CCC(N(C)C(=O)NCc2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.71
NPSR1 Q6W5P4 1/20 0.50
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
KCNH2 Q12809 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
OPRM1 P35372 2/20 0.47
OPRL1 P41146 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.46
CYP3A4 P08684 1/20 0.46
ABCB11 O95342 1/20 0.45

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
SCHEMBL4981928 0.87 CCR5 (0.56) CCR5NPSR1POLBPKMHRH3
SCHEMBL340512 0.82 PKM (0.65) CCR5PKMHTR2AHTR2CKCNH2
SCHEMBL18716736 0.82 CCR5 (0.50) CCR5HTR2AHTR2CKCNH2HRH3
SCHEMBL341620 0.80 PKM (0.57) CCR5KEAP1NFE2L2PKMHTR2A
SCHEMBL31473510 0.80 HTR2A (0.71) HTR2AHTR2CKCNH2HRH3OPRM1
SCHEMBL5329449 0.79 HTR2A (0.59) CCR5PKMHTR2AHTR2CKCNH2
SCHEMBL340169 0.79 HTR2A (0.59) CCR5PKMHTR2AHTR2CKCNH2
SCHEMBL12359048 0.79 CCR5 (0.69) CCR5POLBKCNH2KMT2A
SCHEMBL9471136 0.78 CCR5 (0.60) CCR5NPSR1HTR2AHTR2CKCNH2
SCHEMBL9471138 0.78 CCR5 (0.57) CCR5NPSR1KCNH2HRH3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 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-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands HRH3, HRH1, HRH4 CCR5 620/4885NPSR1 55/4885KEAP1 812/4885

“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.