SCHEMBL3555405

SCHEMBL3555405

O=C1c2cccc(Br)c2CC2CN(Cc3ccccc3)CCN12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
SIGMAR1 Q99720 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM3 P20309 2/20 0.40
TACR1 P25103 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
SCHEMBL3553614 1.00 DRD2 (0.45) DRD2SIGMAR1NPSR1MAPTTDP1
SCHEMBL13140722 0.84 HTR2A (0.45) DRD2SIGMAR1NPSR1MAPTTDP1
SCHEMBL3550885 0.83 HTR2C (0.56) DRD2SIGMAR1NPSR1MAPTTDP1
SCHEMBL3550879 0.83 HTR2C (0.56) DRD2SIGMAR1NPSR1MAPTTDP1
SCHEMBL3561974 0.83 SIGMAR1 (0.41) DRD2SIGMAR1CHRM2CHRM3TACR1
SCHEMBL3561969 0.83 SIGMAR1 (0.41) DRD2SIGMAR1CHRM2CHRM3TACR1
SCHEMBL3555740 0.81 LMNA (0.44) DRD2SIGMAR1CHRM2CHRM3TACR1
SCHEMBL3558012 0.81 LMNA (0.44) DRD2SIGMAR1CHRM2CHRM3TACR1
SCHEMBL3565220 0.81 DRD2 (0.50) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL3565223 0.81 DRD2 (0.50) DRD2SIGMAR1HTR2AHTR2CHTR2B

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 249/4885NPSR1 23/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B DRD2 45/4885SIGMAR1 260/4885NPSR1 21/4885

“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.