SCHEMBL5652225

SCHEMBL5652225

COc1cc(C(=O)NN2CCCCC2)ccc1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.43
CYP1A2 P05177 1/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
CBFB Q13951 1/20 0.41
MAPT P10636 1/20 0.40
EGLN1 Q9GZT9 1/20 0.38
SCN9A Q15858 1/20 0.38
BRAF P15056 2/20 0.38
FOXO1 Q12778 2/20 0.38
PDE7A Q13946 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 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
SCHEMBL5652546 0.91 CNR1 (0.42) CNR1CNR2CBFBEGLN1KDR
SCHEMBL5651448 0.89 CNR1 (0.46) METAP2CNR1CNR2CBFBEGLN1
SCHEMBL5653369 0.88 CBFB (0.44) METAP2CNR1CNR2CBFBEGLN1
SCHEMBL5649030 0.87 CBFB (0.43) CNR1CNR2CBFBEGLN1
SCHEMBL5651558 0.85 HDAC6 (0.45) METAP2CYP1A2BRAFFOXO1PDE7A
SCHEMBL5651303 0.84 CBFB (0.47) CNR1CNR2CBFBMAPTEGLN1
SCHEMBL5653611 0.82 RHEB (0.49) CNR1CNR2MAPTFOXO1PDE7A
SCHEMBL5651818 0.80 FOXO1 (0.42) CNR1CNR2MAPTFOXO1PDE7A
SCHEMBL5649037 0.80 METAP2 (0.50) METAP2CYP1A2CBFBMAPT
SCHEMBL5650908 0.79 FOXO1 (0.43) CNR1CNR2MAPTFOXO1PDE7A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
US-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis 3-V BIOSCIENCES, INC. 2005-02-17 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-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis NR0B2, NR0B1, NCOR1 METAP2 3311/4885CYP1A2 1707/4885CNR1 68/4885

“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.