SCHEMBL10163033

SCHEMBL10163033

CCN1CCC(c2ccc(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
NAMPT P43490 1/20 0.51
CNR1 P21554 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SLC6A7 Q99884 1/20 0.45
SLC6A9 P48067 1/20 0.45
PROKR1 Q8TCW9 2/20 0.45
AKR1C3 P42330 1/20 0.45

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
SCHEMBL25004303 0.80 DRD2 (0.49)
SCHEMBL10162768 0.78 TDP1 (0.57) NAMPTTDP1MAPTMEN1KMT2A
SCHEMBL10130952 0.77 NAMPT (0.45) CA12CA2CA9NAMPTSIGMAR1
SCHEMBL12082811 0.77 LMNA (0.68) CA12CA2CA9NAMPTHTT
SCHEMBL10163586 0.77 MAPT (0.54) NAMPTCNR1MAPT
SCHEMBL27301750 0.76 ME2 (0.66) CA12CA2CA9NAMPTSIGMAR1
SCHEMBL10162449 0.75 GAA (0.56) SIGMAR1GAAMAPTKMT2AKDM4E
SCHEMBL94700 0.75 MEN1 (0.60) CA12CA2CA9NAMPTSIGMAR1
SCHEMBL6889969 0.74 DRD2 (0.54)
SCHEMBL10161329 0.73 CHRNA7 (0.60) SIGMAR1GAAMAPTTSHRKMT2A

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 CA12 1407/4885CA2 3194/4885CA9 1803/4885

“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.