SCHEMBL6033770

SCHEMBL6033770

O=C1C2CCCN2C(=O)C2(CCN(CCCCCCc3ccccc3)CC2)N1CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 10/20 0.51
CXCR4 P61073 2/20 0.49
SIGMAR1 Q99720 6/20 0.47
CCR3 P51677 1/20 0.43
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6034645 1.00 CCR5 (0.51) CCR5CXCR4SIGMAR1CCR3CACNA1G
SCHEMBL6035575 0.99 CCR5 (0.50) CCR5CXCR4SIGMAR1CCR3CACNA1G
SCHEMBL6034978 0.96 CCR5 (0.47) CCR5CXCR4SIGMAR1
SCHEMBL6035554 0.93 CCR5 (0.60) CCR5CXCR4SIGMAR1
SCHEMBL6034536 0.93 CCR5 (0.60) CCR5CXCR4SIGMAR1
SCHEMBL6033754 0.93 CCR5 (0.49) CCR5CXCR4SIGMAR1CCR3CACNA1G
SCHEMBL6034896 0.93 CCR5 (0.49) CCR5CXCR4SIGMAR1CCR3CACNA1G
SCHEMBL6034530 0.93 SIGMAR1 (0.46) CCR5SIGMAR1CYP2D6TSHRKMT2A
SCHEMBL6034924 0.92 CCR5 (0.59) CCR5CXCR4SIGMAR1CCR3CACNA1G
SCHEMBL6033734 0.92 CCR5 (0.47) CCR5CXCR4SIGMAR1CCR3CACNA1G

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-20060019977-A1 Spiroheterocyclic derivative compounds and drugs comprising the compound as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-26 US claimed
EP-1553098-A1 SPIROHETEROCYCLIC DERIVATIVE COMPOUNDS AND DRUGS COMPRISING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 EP claimed
EP-1553098-A1 SPIROHETEROCYCLIC DERIVATIVE COMPOUNDS AND DRUGS COMPRISING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 EP 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-20060019977-A1 Spiroheterocyclic derivative compounds and drugs comprising the compound as the active ingredient CCR1, ACKR3, CCR10 CCR5 7/4885CXCR4 26/4885SIGMAR1 272/4885

“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.