SCHEMBL4980281

SCHEMBL4980281

Cn1ccnc1[C@]1(O)C[C@H]2CC[C@@H](C1)N2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.33
KCNH2 Q12809 1/20 0.33
LPO P22079 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4980288 1.00 CCR2 (0.33) CCR2KCNH2LPOKDM4EMEN1
SCHEMBL18270144 0.79 SLC6A4 (0.42) CCR2KCNH2LPOKDM4EMEN1
SCHEMBL20690952 0.77 SLC6A4 (0.38) CCR2KCNH2LPOKDM4EALDH1A1
SCHEMBL22212218 0.77 KDM4E (0.33) CCR2KCNH2LPOKDM4EALDH1A1
SCHEMBL14950644 0.77 OPRM1 (0.33) CCR2KCNH2LPOKDM4EALDH1A1
SCHEMBL20690972 0.77 CCR2 (0.35) CCR2KCNH2LPOKDM4EALDH1A1
SCHEMBL20690974 0.76 LPO (0.30) LPO
SCHEMBL12178944 0.75
SCHEMBL18270124 0.73 OPRM1 (0.37) CCR2KCNH2ALDH1A1
SCHEMBL16992528 0.72 DRD2 (0.40) CCR2KCNH2LPOMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 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-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 CCR5, CXCR1, CCR2 CCR2 3/4885KCNH2 1730/4885LPO 4410/4885

“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.