SCHEMBL3555397

SCHEMBL3555397

CCc1ccc(C(=O)N(CC)CC)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
HSP90AA1 P07900 2/20 0.50
HSP90AB1 P08238 2/20 0.50
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
CYP1A2 P05177 1/20 0.50
BLM P54132 1/20 0.50
KDM4E B2RXH2 3/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 3/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MITF O75030 1/20 0.43
APP P05067 1/20 0.42
NPC1 O15118 1/20 0.42
ALOX15 P16050 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4508659 0.86 PPARG (0.48) KMT2AMEN1HSP90AA1PPARGPPARA
SCHEMBL9171117 0.83 MEN1 (0.52) KMT2AMEN1HSP90AA1HSP90AB1PPARG
SCHEMBL7291892 0.83 NPC1 (0.55) KMT2AMEN1HSP90AA1HSP90AB1CYP1A2
SCHEMBL3558708 0.82 HCRTR1 (0.47) KMT2AMEN1HSP90AA1HSP90AB1KDM4E
SCHEMBL3558491 0.81 TSHR (0.52) KMT2AMEN1HSP90AA1HSP90AB1CYP1A2
SCHEMBL25729047 0.80 PPARG (0.51) KMT2AMEN1PPARGPPARACYP1A2
SCHEMBL5501065 0.80 PPARG (0.68) KMT2AMEN1PPARGPPARAKDM4E
SCHEMBL5503225 0.80 PPARG (0.51) KMT2AMEN1PPARGPPARAKDM4E
SCHEMBL29196259 0.79 PPARG (0.50) KMT2AMEN1PPARGPPARALMNA
SCHEMBL10267751 0.79 LMNA (0.50) KMT2AMEN1PPARGPPARALMNA

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 9 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-7572805-B2 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 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
US-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY 2006-01-19 US 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 (3 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 KMT2A 3307/4885MEN1 1542/4885HSP90AA1 3657/4885
US-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands HTR2B, OPRD1, HTR1B KMT2A 4182/4885MEN1 1307/4885HSP90AA1 4652/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B KMT2A 3492/4885MEN1 1633/4885HSP90AA1 3330/4885

“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.