SCHEMBL3558867

SCHEMBL3558867

CCN(CC)C(=O)c1cccc(Cl)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
KEAP1 Q14145 1/20 0.46
TP53 P04637 2/20 0.44
KMT2A Q03164 4/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43
GHSR Q92847 1/20 0.42
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.40
BLM P54132 1/20 0.40
MAPK1 P28482 1/20 0.40
NOTUM Q6P988 1/20 0.40
HCRTR1 O43613 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
SCHEMBL16870396 0.83 KEAP1 (0.47) TSHRKEAP1TP53KMT2AHPGD
SCHEMBL3671946 0.83 HPGD (0.50) KEAP1TP53KMT2AHPGDMEN1
SCHEMBL4482255 0.80 SLC6A2 (0.53) TSHRKEAP1TP53KMT2AHPGD
SCHEMBL143826 0.80 TP53 (0.65) TSHRKEAP1TP53KMT2AHPGD
SCHEMBL8577021 0.79 POLB (0.41) TSHRKMT2AHPGDMEN1ALDH1A1
SCHEMBL3312574 0.79 KEAP1 (0.49) TSHRKEAP1TP53KMT2AHPGD
SCHEMBL3442604 0.79 KEAP1 (0.49) TSHRKEAP1TP53KMT2AHPGD
SCHEMBL1261117 0.79 KMT2A (0.43) TSHRKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL5011915 0.76 ALDH1A1 (0.47) TSHRKMT2AHPGDMEN1ALDH1A1
SCHEMBL698873 0.76 ALDH1A1 (0.47) TSHRKMT2AHPGDMEN1ALDH1A1

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 TSHR 409/4885KEAP1 2712/4885TP53 4817/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B TSHR 313/4885KEAP1 3150/4885TP53 4825/4885

“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.