SCHEMBL10130944

SCHEMBL10130944

CCN1CC2CC2(c2ccc(N3CCN(C(=O)C4CC4)CC3)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 5/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD11B1 P28845 2/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
KCNH2 Q12809 1/20 0.42
NAMPT P43490 1/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.39
ALOX12 P18054 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL10130949 0.85 MAPT (0.49) MAPTKMT2AMEN1DRD2DRD3
SCHEMBL10132306 0.85 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1DRD2
SCHEMBL10130940 0.84 GAA (0.49) MAPTKMT2ADRD2DRD3KCNH2
SCHEMBL10132302 0.82 LMNA (0.52) MAPTALDH1A1SMN1; SMN2ALOX12
SCHEMBL10132304 0.82 KCNH2 (0.42) MAPTDRD2DRD3KCNH2CYP1A2
SCHEMBL10130918 0.82 KCNH2 (0.44) DRD2DRD3KCNH2CYP1A2CYP2C19
SCHEMBL9951699 0.81 CHRNA7 (0.53) MAPTDRD2DRD3KCNH2CYP1A2
SCHEMBL10130858 0.81 KCNH2 (0.47) MAPTDRD2DRD3KCNH2CYP1A2
SCHEMBL10130859 0.81 KCNH2 (0.47) MAPTDRD2DRD3KCNH2CYP1A2
SCHEMBL10130834 0.81 KCNH2 (0.47) MAPTDRD2DRD3KCNH2CYP1A2

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 6 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
WO-2010150281-A2 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2010-12-29 WO 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 TDP1 1083/4885MAPT 219/4885KMT2A 3935/4885

“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.