SCHEMBL5705772

SCHEMBL5705772

CC(C)(C)OC(=O)N1CCC(F)(C(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
STS P08842 2/20 0.49
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
VEGFA P15692 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
POLB P06746 1/20 0.42
KDM1A O60341 1/20 0.41
DRD2 P14416 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP3A5 P20815 1/20 0.41

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
SCHEMBL229653 0.88 KMT2A (0.47) KMT2AMEN1GPR119KDM1AHDAC1
SCHEMBL15565611 0.87 KDM4E (0.50) KMT2AMEN1GPR119
SCHEMBL5705741 0.86 KMT2A (0.47) KMT2AMEN1STSHPGDGPR119
SCHEMBL31462772 0.85 STS (0.47) KMT2AMEN1STSSMN1; SMN2POLB
SCHEMBL2588263 0.84 MEN1 (0.55) KMT2AMEN1STSNPSR1HTT
SCHEMBL20446467 0.84 MEN1 (0.46) KMT2AMEN1STSNPSR1HTT
SCHEMBL29872290 0.84 MEN1 (0.46) KMT2AMEN1STSNPSR1HTT
SCHEMBL5940504 0.83 MEN1 (0.46) KMT2AMEN1STSNPSR1USP2
SCHEMBL20757765 0.83 MEN1 (0.45) KMT2AMEN1STSNPSR1HTT
SCHEMBL16590450 0.81 USP30 (0.45) KMT2AMEN1DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517894-B1 N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2006-09-06 EP disclosed
US-20060058348-A1 N-benzyl-3-phenyl-3-heterocyclyl-propionamide compounds as tachykinin and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2006-03-16 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 (1 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-20060058348-A1 N-benzyl-3-phenyl-3-heterocyclyl-propionamide compounds as tachykinin and/or serotonin reuptake inhibitors HTR7, OPRL1, HCRTR1 KMT2A 2779/4885MEN1 2011/4885STS 1969/4885

“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.