SCHEMBL3565223

SCHEMBL3565223

O=C1c2c(Br)cccc2CC2CN(Cc3ccccc3)CCN12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.50
SIGMAR1 Q99720 4/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
PARP1 P09874 4/20 0.41
PARP2 Q9UGN5 3/20 0.41
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
CHRM3 P20309 3/20 0.40
CHRM2 P08172 2/20 0.40
TACR1 P25103 2/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL3565220 1.00 DRD2 (0.50) DRD2SIGMAR1GRIN1GRIN2BPARP1
SCHEMBL3553756 0.87 HTR2A (0.55) DRD2SIGMAR1GRIN1GRIN2BHTR2A
SCHEMBL3553758 0.87 HTR2A (0.55) DRD2SIGMAR1GRIN1GRIN2BHTR2A
SCHEMBL3560321 0.86 HTR2A (0.54) DRD2SIGMAR1GRIN1GRIN2BPARP1
SCHEMBL3560318 0.86 HTR2A (0.54) DRD2SIGMAR1GRIN1GRIN2BPARP1
SCHEMBL3557100 0.84 DRD2 (0.48) DRD2SIGMAR1GRIN1GRIN2BPARP1
SCHEMBL3551996 0.83 HTR2A (0.56) DRD2SIGMAR1GRIN1GRIN2BPARP1
SCHEMBL3557068 0.83 HTR2A (0.56) DRD2HTR2AHTR2CHTR2BHTR1A
SCHEMBL3557066 0.83 HTR2A (0.56) DRD2HTR2AHTR2CHTR2BHTR1A
SCHEMBL3551992 0.83 HTR2A (0.56) DRD2SIGMAR1GRIN1GRIN2BPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 EP disclosed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 US disclosed
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 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 (2 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-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A DRD2 47/4885SIGMAR1 249/4885GRIN1 184/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B DRD2 45/4885SIGMAR1 260/4885GRIN1 177/4885

“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.