SCHEMBL3555740

SCHEMBL3555740

O=C1c2cc(Br)c(O)c(Br)c2C[C@@H]2CN(Cc3ccccc3)CCN12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
DRD2 P14416 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
FPR2 P25090 1/20 0.39
CHRM2 P08172 2/20 0.37
CHRM3 P20309 2/20 0.37
CARM1 Q86X55 1/20 0.37
TACR1 P25103 1/20 0.37

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
SCHEMBL3558012 1.00 LMNA (0.44) LMNADRD2SIGMAR1FPR2CHRM2
SCHEMBL3561969 0.85 SIGMAR1 (0.41) DRD2SIGMAR1FPR2CHRM2CHRM3
SCHEMBL3561974 0.85 SIGMAR1 (0.41) DRD2SIGMAR1FPR2CHRM2CHRM3
SCHEMBL3557221 0.82 LMNA (0.42) LMNADRD2FPR2CHRM2CHRM3
SCHEMBL3557220 0.82 LMNA (0.42) LMNADRD2FPR2CHRM2CHRM3
SCHEMBL3555405 0.81 DRD2 (0.45) DRD2SIGMAR1CHRM2CHRM3TACR1
SCHEMBL3553614 0.81 DRD2 (0.45) DRD2SIGMAR1CHRM2CHRM3TACR1
SCHEMBL3553840 0.81 DRD2 (0.39) DRD2SIGMAR1CHRM2CHRM3TACR1
SCHEMBL3553837 0.81 DRD2 (0.39) DRD2SIGMAR1CHRM2CHRM3TACR1
SCHEMBL3554180 0.77 DRD2 (0.41) LMNADRD2SIGMAR1CHRM2CHRM3

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 LMNA 3911/4885DRD2 47/4885SIGMAR1 249/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B LMNA 3803/4885DRD2 45/4885SIGMAR1 260/4885

“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.