SCHEMBL10162455

SCHEMBL10162455

CCN1CCN(c2ccc(C3CCNC3)cc2)CC1=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.41
HTR3A P46098 1/20 0.41
KHK P50053 1/20 0.36
JAK3 P52333 1/20 0.36
PDE4B Q07343 1/20 0.35
MAP3K5 Q99683 1/20 0.35

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
SCHEMBL10163043 0.89 HTR3A (0.40) HTR3AJAK3
SCHEMBL10162860 0.80 EED (0.47) EED
SCHEMBL10162876 0.75 NAMPT (0.38) HTR3AKHKJAK3
SCHEMBL10130963 0.74 SLC6A2 (0.49)
SCHEMBL10162739 0.74 HTR3A (0.58) HTR3AJAK3PDE4B
SCHEMBL10163024 0.73 HTR3A (0.50) HTR3AJAK3
SCHEMBL10163027 0.73 SLC18A3 (0.55) HTR3AKHKJAK3
SCHEMBL15651962 0.73 MAPT (0.56) EEDMAP3K5
SCHEMBL22623625 0.72 CHRNA7 (0.53) EED
SCHEMBL10161191 0.72 HTR3A (0.56) HTR3AJAK3

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-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 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-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 EED 4401/4885HTR3A 852/4885KHK 1559/4885

“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.