SCHEMBL3561969

SCHEMBL3561969

O=C1c2ccc(O)c(Br)c2C[C@@H]2CN(Cc3ccccc3)CCN12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
DRD2 P14416 2/20 0.41
CHRM3 P20309 3/20 0.38
CHRM2 P08172 2/20 0.38
CARM1 Q86X55 1/20 0.38
FPR2 P25090 1/20 0.38
TACR1 P25103 2/20 0.38
TRPC5 Q9UL62 1/20 0.38
ABCB1 P08183 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3561974 1.00 SIGMAR1 (0.41) SIGMAR1DRD2CHRM3CHRM2CARM1
SCHEMBL3554185 0.87 DRD2 (0.41) SIGMAR1DRD2CHRM3CHRM2TACR1
SCHEMBL3554180 0.87 DRD2 (0.41) SIGMAR1DRD2CHRM3CHRM2TACR1
SCHEMBL3558012 0.85 LMNA (0.44) SIGMAR1DRD2CHRM3CHRM2CARM1
SCHEMBL3555740 0.85 LMNA (0.44) SIGMAR1DRD2CHRM3CHRM2CARM1
SCHEMBL3555405 0.83 DRD2 (0.45) SIGMAR1DRD2CHRM3CHRM2TACR1
SCHEMBL3553614 0.83 DRD2 (0.45) SIGMAR1DRD2CHRM3CHRM2TACR1
SCHEMBL3554560 0.78 DRD2 (0.41) DRD2CHRM3CHRM2TACR1ALDH1A1
SCHEMBL3554557 0.78 DRD2 (0.41) DRD2CHRM3CHRM2TACR1ALDH1A1
SCHEMBL3559821 0.78 ACHE (0.47) SIGMAR1DRD2

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 SIGMAR1 249/4885DRD2 47/4885CHRM3 594/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B SIGMAR1 260/4885DRD2 45/4885CHRM3 526/4885

“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.