SCHEMBL5455714

SCHEMBL5455714

CC(C)(C)OC(=O)N1CCc2ccc(C3=CCN(C(=O)OCc4ccccc4)CC3)cc2CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.53
LNPEP Q9UIQ6 1/20 0.49
PRMT5 O14744 2/20 0.48
WDR77 Q9BQA1 2/20 0.48
TMEM97 Q5BJF2 7/20 0.48
SIGMAR1 Q99720 7/20 0.48
GRM5 P41594 4/20 0.47
GRM1 Q13255 4/20 0.47
PDK4 Q16654 1/20 0.47
ESR2 Q92731 1/20 0.46
HTR6 P50406 1/20 0.44
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
HRH2 P25021 1/20 0.43
HTR2C P28335 1/20 0.43
HTR1E P28566 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GPR119 Q8TDV5 1/20 0.43

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
SCHEMBL23783113 0.94 NAMPT (0.58) NAMPTLNPEPPRMT5WDR77TMEM97
SCHEMBL21800337 0.92 NAMPT (0.59) NAMPTLNPEPPRMT5WDR77TMEM97
SCHEMBL34461170 0.89 NAMPT (0.48) NAMPTLNPEPPRMT5WDR77TMEM97
SCHEMBL14441055 0.86 TMEM97 (0.48) LNPEPTMEM97SIGMAR1GRM5ADRA2A
SCHEMBL30366420 0.86 NAMPT (0.52) NAMPTLNPEPTMEM97SIGMAR1GRM5
SCHEMBL5459521 0.84 LNPEP (0.48) LNPEPTMEM97SIGMAR1GRM5ADRA2A
SCHEMBL21800336 0.83 NAMPT (0.49) NAMPTLNPEPPRMT5WDR77GRM5
SCHEMBL25201639 0.83 NAMPT (0.50) NAMPTLNPEPTMEM97SIGMAR1GRM5
SCHEMBL5456989 0.82 TMEM97 (0.61) LNPEPTMEM97SIGMAR1ADRA2AADRA2B
SCHEMBL30582259 0.81 LNPEP (0.48) NAMPTLNPEPPRMT5WDR77TMEM97

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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B NAMPT 4183/4885LNPEP 3703/4885PRMT5 2382/4885

“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.