SCHEMBL10131121

SCHEMBL10131121

CCN1CC2CC2(c2ccc(N3CCOc4ccccc43)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
NOTUM Q6P988 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
NUDT1 P36639 1/20 0.32

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
SCHEMBL10130892 0.82 KCNH2 (0.44) KCNH2DRD2DRD3SLC6A2SLC6A4
SCHEMBL10130889 0.82 KCNH2 (0.44) KCNH2DRD2DRD3SLC6A2SLC6A4
SCHEMBL10130884 0.82 KCNH2 (0.44) KCNH2DRD2DRD3SLC6A2SLC6A4
SCHEMBL10131148 0.81 KCNH2 (0.41) KCNH2DRD2DRD3SLC6A2SLC6A4
SCHEMBL10132156 0.76 F10 (0.46) KCNH2DRD2DRD3CYP2D6CYP1A2
SCHEMBL10130900 0.76 KCNH2 (0.43) KCNH2DRD2DRD3SLC6A2SLC6A4
SCHEMBL9951699 0.76 CHRNA7 (0.53) KCNH2DRD2DRD3SLC6A2SLC6A4
SCHEMBL10130965 0.76 KCNH2 (0.46) KCNH2DRD2DRD3SLC6A2SLC6A4
SCHEMBL9950595 0.76 KCNH2 (0.46) KCNH2DRD2DRD3SLC6A2SLC6A4
SCHEMBL10130975 0.76 KCNH2 (0.46) KCNH2DRD2DRD3SLC6A2SLC6A4

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 KCNH2 2683/4885DRD2 834/4885DRD3 594/4885

“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.