SCHEMBL3072901

SCHEMBL3072901

COC(=O)C1CCN(Cc2ccccc2)CC1c1cc(C)cc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.46
DRD4 P21917 5/20 0.46
DRD3 P35462 4/20 0.46
RORC P51449 1/20 0.45
FAAH O00519 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
MCHR1 Q99705 1/20 0.44
SIGMAR1 Q99720 3/20 0.44
SCN4A P35499 2/20 0.42

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
SCHEMBL3080127 0.88 SIGMAR1 (0.51) DRD2DRD4DRD3RORCMCHR1
SCHEMBL7818044 0.85 SLC6A2 (0.56) RORCMCHR1
SCHEMBL7915812 0.81 DRD2 (0.50) DRD2DRD4SIGMAR1
SCHEMBL7914327 0.81 DRD2 (0.50) DRD2DRD4SIGMAR1
SCHEMBL3115936 0.81 DRD2 (0.50) DRD2DRD4SIGMAR1
SCHEMBL320746 0.78 RORC (0.55) RORCFAAHSIGMAR1
SCHEMBL10277774 0.78 RORC (0.55) RORCFAAHSIGMAR1
SCHEMBL10277776 0.78 RORC (0.55) RORCFAAHSIGMAR1
SCHEMBL24240396 0.77 F10 (0.54) RORCFAAH
SCHEMBL1282973 0.76 S1PR5 (0.53) DRD2DRD4DRD3ACHEMCHR1

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-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 DRD2 95/4885DRD4 287/4885DRD3 164/4885

“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.