SCHEMBL3558491

SCHEMBL3558491

CCN(CC)C(=O)c1ccc(Cl)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
BLM P54132 1/20 0.50
LMNA P02545 1/20 0.49
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
ALDH1A1 P00352 6/20 0.48
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP3A4 P08684 1/20 0.47
NPC1 O15118 1/20 0.45

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
SCHEMBL9171117 0.83 MEN1 (0.52) TSHRMEN1KMT2ACYP1A2HSP90AA1
SCHEMBL7291892 0.83 NPC1 (0.55) TSHRMEN1KMT2ACYP1A2HSP90AA1
SCHEMBL3555397 0.81 KMT2A (0.54) MEN1KMT2ACYP1A2HSP90AA1HSP90AB1
SCHEMBL6333477 0.79 FLT1 (0.49) TSHRMEN1KMT2ALMNAFLT1
SCHEMBL12553768 0.79 ALDH1A1 (0.44) TSHRHSP90AA1HSP90AB1ALDH1A1MAPT
SCHEMBL4854078 0.79 HMGCR (0.53) TSHRMEN1KMT2ALMNAFLT1
SCHEMBL3558647 0.78 TRPA1 (0.50) MEN1KMT2ACYP1A2HSP90AA1HSP90AB1
SCHEMBL17553006 0.78 ALDH1A1 (0.50) TSHRMEN1KMT2ACYP1A2HSP90AA1
SCHEMBL2334001 0.78 ALDH1A1 (0.50) TSHRHSP90AA1HSP90AB1FLT1FLT4
SCHEMBL3816535 0.78 ABL1 (0.54) MEN1KMT2AHSP90AA1HSP90AB1FLT1

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 409/4885MEN1 1542/4885KMT2A 3307/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B TSHR 313/4885MEN1 1633/4885KMT2A 3492/4885

“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.