SCHEMBL6493455

SCHEMBL6493455

C#Cc1ccc2c(c1)C(OC)CC2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
BACE1 P56817 2/20 0.35
IDO1 P14902 2/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 1/20 0.34
BCHE P06276 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ACHE P22303 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR6 P50406 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33
CYP19A1 P11511 3/20 0.32

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
SCHEMBL6494578 0.78 CYP11B1 (0.34) IDO1CYP11B1CYP11B2HTR2CSLC6A4
SCHEMBL23100772 0.76 CHRM4 (0.38) MAOAMAOBIDO1CYP11B1CYP11B2
SCHEMBL6491413 0.75 ACHE (0.48) MAOAMAOBACHESLC6A4
SCHEMBL18347078 0.75 SLC6A4 (0.47) IDO1CYP11B1HTR2CSLC6A4HTR2B
SCHEMBL837704 0.75 SLC6A4 (0.47) IDO1CYP11B1HTR2CSLC6A4HTR2B
SCHEMBL18347073 0.75 SLC6A4 (0.47) IDO1CYP11B1HTR2CSLC6A4HTR2B
SCHEMBL4533624 0.74 CYP1A2 (0.49) MAOAMAOBBACE1CYP11B1CYP11B2
SCHEMBL6482195 0.74 HTR2A (0.47) BACE1IDO1ADRA2BADRA2CHTR2C
SCHEMBL17729306 0.74 IDO1 (0.42) IDO1CYP11B1ACHEHTR6HTR2C
SCHEMBL14349183 0.71 HTR2C (0.38) IDO1HTR2CSLC6A4HTR2B

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 MAOA 367/4885MAOB 336/4885BACE1 1718/4885

“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.