SCHEMBL3080127

SCHEMBL3080127

COC(=O)C1CCN(Cc2ccccc2)CC1c1cccc(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
KMT2A Q03164 1/20 0.50
DRD2 P14416 3/20 0.49
DRD4 P21917 3/20 0.49
DRD3 P35462 3/20 0.49
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 3/20 0.48
RORC P51449 1/20 0.47
SLC6A2 P23975 2/20 0.46
MCHR1 Q99705 1/20 0.45
F10 P00742 1/20 0.45
PRSS1 P07477 1/20 0.45

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
SCHEMBL320746 0.90 RORC (0.55) SIGMAR1KMT2ASLC6A4SLC6A3RORC
SCHEMBL10277776 0.90 RORC (0.55) SIGMAR1KMT2ASLC6A4SLC6A3RORC
SCHEMBL10277774 0.90 RORC (0.55) SIGMAR1KMT2ASLC6A4SLC6A3RORC
SCHEMBL7818044 0.89 SLC6A2 (0.56) SLC6A4SLC6A3RORCSLC6A2MCHR1
SCHEMBL3072901 0.88 DRD2 (0.46) SIGMAR1DRD2DRD4DRD3RORC
SCHEMBL7915812 0.83 DRD2 (0.50) SIGMAR1DRD2DRD4
SCHEMBL7914327 0.83 DRD2 (0.50) SIGMAR1DRD2DRD4
SCHEMBL3115936 0.83 DRD2 (0.50) SIGMAR1DRD2DRD4
SCHEMBL6042760 0.79 SLC18A3 (0.57) SIGMAR1KMT2ADRD2
SCHEMBL23417389 0.78 F10 (0.54) SLC6A4SLC6A3RORCSLC6A2F10

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 SIGMAR1 149/4885KMT2A 3546/4885DRD2 95/4885

“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.