SCHEMBL6491975

SCHEMBL6491975

CN(C(=O)OCc1ccccc1)C1CCc2ccc(Br)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.56
SIGMAR1 Q99720 2/20 0.56
HTR1A P08908 1/20 0.56
CHRM5 P08912 1/20 0.56
ADRA2A P08913 1/20 0.56
ADRA2B P18089 1/20 0.56
DRD1 P21728 1/20 0.56
DRD4 P21917 1/20 0.56
DRD5 P21918 1/20 0.56
ADRA1D P25100 1/20 0.56
HTR1D P28221 1/20 0.56
HTR1B P28222 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
TSPO P30536 1/20 0.56
HTR7 P34969 1/20 0.56
ADRA1A P35348 1/20 0.56
HRH1 P35367 1/20 0.56
DRD3 P35462 1/20 0.56
HTR2B P41595 1/20 0.56

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
SCHEMBL19540902 0.94 TMEM97 (0.64) TMEM97SIGMAR1HTR1ACHRM5ADRA2A
SCHEMBL22004629 0.87 TMEM97 (0.44) TMEM97SIGMAR1HTR1ACHRM5ADRA2A
SCHEMBL22517107 0.84 TMEM97 (0.42) TMEM97SIGMAR1HTR1ACHRM5ADRA2A
SCHEMBL6483939 0.84 TMEM97 (0.54) TMEM97SIGMAR1HTR1ACHRM5ADRA2A
SCHEMBL19540968 0.82 TMEM97 (0.56) TMEM97SIGMAR1HTR1ACHRM5ADRA2A
SCHEMBL6494379 0.81 TMEM97 (0.51) TMEM97SIGMAR1HTR1ACHRM5ADRA2A
SCHEMBL19540912 0.81 TMEM97 (0.64) TMEM97SIGMAR1HTR1ACHRM5ADRA2A
SCHEMBL19540843 0.80 TMEM97 (0.61) TMEM97SIGMAR1HTR1ACHRM5ADRA2A
SCHEMBL21954384 0.79 ACHE (0.45) TMEM97SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL6483133 0.78 ACHE (0.45) HTR2AHTR2CHTR2B

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-6919335-B2 Administering a therapeutically effective amount of a heterocyclic compound to the patient for the treatment of inosine monophosphate dehydrogenase associated disorders, such as allograft rejection BRISTOL-MYERS SQUIBB CO. (US) 2005-07-19 US disclosed
US-20020040022-A1 Heterocycles that are inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY 2002-04-04 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-20020040022-A1 Heterocycles that are inhibitors of IMPDH enzyme XDH, IMPDH1, IMPDH2 TMEM97 2412/4885SIGMAR1 1723/4885HTR1A 2972/4885

“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.