SCHEMBL3081816

SCHEMBL3081816

Cc1cc(Br)c2c(c1)[C@@H]1CN(Cc3ccccc3)CC[C@@H]1C2=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.42
ACHE P22303 4/20 0.41
BACE1 P56817 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
CCR5 P51681 1/20 0.41
HTR6 P50406 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN4A P35499 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 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
SCHEMBL3081818 1.00 BCHE (0.42) BCHEACHEBACE1SIGMAR1CCR5
SCHEMBL3071799 0.84 BCHE (0.44) BCHEACHEBACE1SIGMAR1SCN4A
SCHEMBL3071793 0.84 BCHE (0.44) BCHEACHEBACE1SIGMAR1SCN4A
SCHEMBL3088395 0.84 SIGMAR1 (0.47) BCHEACHEBACE1SIGMAR1CCR5
SCHEMBL3088399 0.84 SIGMAR1 (0.47) BCHEACHEBACE1SIGMAR1CCR5
SCHEMBL3085547 0.76 DRD2 (0.49) BCHEACHEBACE1SIGMAR1KMT2A
SCHEMBL3085544 0.76 DRD2 (0.49) BCHEACHEBACE1SIGMAR1KMT2A
SCHEMBL4079282 0.71 SIGMAR1 (0.45) BCHEACHEBACE1SIGMAR1CCR5
SCHEMBL3072510 0.70 DPP4 (0.48) BCHEACHEBACE1SIGMAR1CCR5
SCHEMBL3072507 0.70 DPP4 (0.48) BCHEACHEBACE1SIGMAR1CCR5

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 7 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-7795436-B2 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-14 US disclosed
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
US-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 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 1059/4885BACE1 232/4885

“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.