SCHEMBL3553495

SCHEMBL3553495

CCN(CC)C(=O)c1ccc(Br)cc1OC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.47
HCRTR2 O43614 8/20 0.47
USP2 O75604 1/20 0.46
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTPN1 P18031 1/20 0.41
MLYCD O95822 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRA2A P08913 2/20 0.39
MCHR1 Q99705 2/20 0.39
NPY5R Q15761 1/20 0.39

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
SCHEMBL3552125 0.84 HCRTR1 (0.48) HCRTR1HCRTR2MLYCDHSP90AA1HSP90AB1
SCHEMBL3558708 0.83 HCRTR1 (0.47) HCRTR1HCRTR2MLYCDHSP90AA1HSP90AB1
SCHEMBL15884051 0.81 MAOA (0.44) HCRTR1HCRTR2MAOAMAOBPTPN1
SCHEMBL3560278 0.80 HCRTR1 (0.45) HCRTR1HCRTR2MLYCDHSP90AA1HSP90AB1
SCHEMBL3550257 0.80 HCRTR1 (0.63) HCRTR1HCRTR2LMNATP53
SCHEMBL15884073 0.79 MAOA (0.47) MAOAMAOBL3MBTL1PTPN1ALDH1A1
SCHEMBL22979068 0.79 LMNA (0.47) MAOAMAOBLMNAALDH1A1MAPK1
SCHEMBL3559186 0.79 HCRTR1 (0.44) HCRTR1HCRTR2MLYCDHSP90AA1HSP90AB1
SCHEMBL3938494 0.77 MAOA (0.48) USP2MAOAMAOBPTPN1ALDH1A1
SCHEMBL15192412 0.77 MLYCD (0.53) USP2LMNAL3MBTL1MLYCDHSP90AA1

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 7 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
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 EP disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO 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 HCRTR1 33/4885HCRTR2 42/4885USP2 3247/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B HCRTR1 34/4885HCRTR2 42/4885USP2 3557/4885

“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.