SCHEMBL3071799

SCHEMBL3071799

Cc1cc(Br)cc2c1C(=O)C1CCN(Cc3ccccc3)CC21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.44
ACHE P22303 6/20 0.44
FAAH O00519 2/20 0.44
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
BACE1 P56817 3/20 0.41
SIGMAR1 Q99720 2/20 0.41
SCN4A P35499 2/20 0.41
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD4 P21917 2/20 0.39

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
SCHEMBL3071793 1.00 BCHE (0.44) BCHEACHEFAAHDRD2DRD3
SCHEMBL3081816 0.84 BCHE (0.42) BCHEACHEDRD2DRD3BACE1
SCHEMBL3081818 0.84 BCHE (0.42) BCHEACHEDRD2DRD3BACE1
SCHEMBL3085547 0.81 DRD2 (0.49) BCHEACHEDRD2DRD3BACE1
SCHEMBL3085544 0.81 DRD2 (0.49) BCHEACHEDRD2DRD3BACE1
SCHEMBL3088395 0.79 SIGMAR1 (0.47) BCHEACHEDRD2BACE1SIGMAR1
SCHEMBL3088399 0.79 SIGMAR1 (0.47) BCHEACHEDRD2BACE1SIGMAR1
SCHEMBL3083280 0.77 DRD2 (0.46) BCHEACHEFAAHDRD2DRD3
SCHEMBL3083277 0.77 DRD2 (0.46) BCHEACHEFAAHDRD2DRD3
SCHEMBL1895967 0.73 DPP4 (0.45) DRD2DRD3SCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US claimed
US-7795436-B2 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-14 US disclosed
US-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 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-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists HTR2B, HTR2C, HTR1A BCHE 1890/4885ACHE 1059/4885FAAH 107/4885

“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.