SCHEMBL3562229

SCHEMBL3562229

Cc1ccnc(OC(C)C)c1Br

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.46
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
NOS3 P29474 2/20 0.32
NOS2 P35228 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
SLC13A5 Q86YT5 1/20 0.31
PSMD14 O00487 1/20 0.31
COPS5 Q92905 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL27031413 0.83 TRPV4 (0.39) LRRK2HPGDSMN1; SMN2CCR1CCR5
SCHEMBL30296304 0.83 TRPV4 (0.39) LRRK2HPGDSMN1; SMN2CCR1CCR5
SCHEMBL19005013 0.80 LRRK2 (0.49) LRRK2CCR1CCR5CCR8NOS3
SCHEMBL1844481 0.78 HPGD (0.41) HPGDSMN1; SMN2CCR1CCR5CCR8
SCHEMBL25411688 0.77 LRRK2 (0.46) LRRK2HPGDSMN1; SMN2TRPM8HRH4
SCHEMBL27727585 0.77 NOS2 (0.50) LRRK2CCR1CCR5CCR8NOS3
SCHEMBL14853027 0.74 HPGD (0.67) LRRK2HPGDSMN1; SMN2CCR1CCR5
SCHEMBL2614923 0.72 LRRK2 (0.45) LRRK2SMN1; SMN2NOS3NOS2TRPM8
SCHEMBL29497424 0.72 LRRK2 (0.45) LRRK2SMN1; SMN2NOS3NOS2TRPM8
SCHEMBL21609744 0.72 SMN1; SMN2 (0.37) HPGDSMN1; SMN2CCR1CCR5CCR8

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 LRRK2 635/4885HPGD 2668/4885SMN1; SMN2 3122/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B LRRK2 500/4885HPGD 2494/4885SMN1; SMN2 3065/4885

“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.