SCHEMBL10130952

SCHEMBL10130952

CCN1CC2CC2(c2ccc(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.45
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
HTT P42858 3/20 0.43
MAPT P10636 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MGLL Q99685 1/20 0.42
SLC6A7 Q99884 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
DRD3 P35462 2/20 0.41
KCNH2 Q12809 2/20 0.41
DRD2 P14416 1/20 0.41
AKR1C3 P42330 1/20 0.41

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
SCHEMBL10132302 0.88 LMNA (0.52) HTTMAPTALDH1A1HPGDMGLL
SCHEMBL6003466 0.81 DRD3 (0.51) DRD3KCNH2DRD2CYP1A2
SCHEMBL10130944 0.79 TDP1 (0.50) NAMPTMAPTALDH1A1MEN1KMT2A
SCHEMBL10130949 0.79 MAPT (0.49) NAMPTHTTMAPTMEN1KMT2A
SCHEMBL10132306 0.79 MAPT (0.54) HTTMAPTKDM4EALDH1A1MEN1
SCHEMBL10130940 0.78 GAA (0.49) MAPTSIGMAR1KDM4EKMT2ADRD3
SCHEMBL10163033 0.77 CA12 (0.52) NAMPTCA12CA2CA9HTT
SCHEMBL12973955 0.77 DRD3 (0.37) CA12CA2CA9MEN1KMT2A
SCHEMBL9951699 0.76 CHRNA7 (0.53) MAPTSIGMAR1KDM4EDRD3KCNH2
SCHEMBL10130834 0.76 KCNH2 (0.47) MAPTSIGMAR1KDM4EDRD3KCNH2

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 NAMPT 471/4885CA12 1407/4885CA2 3194/4885

“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.