SCHEMBL10130940

SCHEMBL10130940

CCN1CCN(c2ccc(C34CC3CN(CC)C4)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
RAD52 P43351 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
GFER P55789 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CHRNA7 P36544 1/20 0.47
KCNH2 Q12809 3/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
SIGMAR1 Q99720 1/20 0.43
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.37

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
SCHEMBL9951699 0.92 CHRNA7 (0.53) GAARAD52KDM4EMAPTGFER
SCHEMBL10130859 0.92 KCNH2 (0.47) GAARAD52KDM4EMAPTGFER
SCHEMBL10130834 0.92 KCNH2 (0.47) GAARAD52KDM4EMAPTGFER
SCHEMBL10130862 0.92 KCNH2 (0.47) GAARAD52KDM4EMAPTGFER
SCHEMBL10130858 0.92 KCNH2 (0.47) GAARAD52KDM4EMAPTGFER
SCHEMBL10132331 0.90 KCNH2 (0.47) GAARAD52KDM4EMAPTGFER
SCHEMBL10132333 0.90 KCNH2 (0.47) GAARAD52KDM4EMAPTGFER
SCHEMBL10130902 0.90 KCNH2 (0.47) GAARAD52KDM4EMAPTGFER
SCHEMBL10130965 0.89 KCNH2 (0.46) GAARAD52KDM4EMAPTGFER
SCHEMBL9950595 0.89 KCNH2 (0.46) GAARAD52KDM4EMAPTGFER

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
US-8906913-B2 Azabicyclohexanes PANACEA BIOTEC LIMITED (IN) 2014-12-09 US disclosed
US-8906913-B2 Azabicyclohexanes PANACEA BIOTEC LIMITED (IN) 2014-12-09 US disclosed
EP-2445887-B1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 US disclosed
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 GAA 1904/4885RAD52 2961/4885KDM4E 2799/4885

“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.