SCHEMBL4808295

SCHEMBL4808295

CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CCR4 P51679 1/20 0.49
SIGMAR1 Q99720 3/20 0.49
HDAC8 Q9BY41 2/20 0.49
PTPN1 P18031 1/20 0.49
POLB P06746 3/20 0.48
NAMPT P43490 1/20 0.47
MAOB P27338 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL4808286 1.00 KMT2A (0.50) KMT2AMEN1CCR4SIGMAR1HDAC8
SCHEMBL4914651 0.86 HDAC8 (0.50) HDAC8PTPN1NAMPT
SCHEMBL4925914 0.86 HDAC8 (0.48) HDAC8PTPN1POLBNAMPT
SCHEMBL6238826 0.79 HDAC8 (0.70) HDAC8PTPN1NAMPT
SCHEMBL4922008 0.79 HDAC8 (0.51) HDAC8PTPN1NAMPT
SCHEMBL14002110 0.78 EPHX2 (0.57) KMT2ANAMPTDRD2DRD4DRD3
SCHEMBL915402 0.78 KMT2A (0.65) KMT2AMEN1SIGMAR1POLBMAOB
SCHEMBL22962110 0.77 HDAC8 (0.57) HDAC8PTPN1
SCHEMBL14002108 0.76 DCUN1D1 (0.66) KMT2ASIGMAR1POLB
SCHEMBL14183936 0.76 HDAC8 (0.62) HDAC8PTPN1POLBNAMPT

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
US-7446115-B2 To treat pain, drug addiction, or tinnitus; selectively inhibit sodium or calcium ion channels and agonize or antagonize mu -opioid receptors; N-Benzyl-N-(2-dimethylamino-ethyl)-2-(S)-[3-(4-fluorophenyl)-ureido]-3-methyl-butyramide SEPRACOR, INC. (US) 2008-11-04 US disclosed
US-7446115-B2 To treat pain, drug addiction, or tinnitus; selectively inhibit sodium or calcium ion channels and agonize or antagonize mu -opioid receptors; N-Benzyl-N-(2-dimethylamino-ethyl)-2-(S)-[3-(4-fluorophenyl)-ureido]-3-methyl-butyramide SEPRACOR, INC. (US) 2008-11-04 US disclosed
US-7446115-B2 To treat pain, drug addiction, or tinnitus; selectively inhibit sodium or calcium ion channels and agonize or antagonize mu -opioid receptors; N-Benzyl-N-(2-dimethylamino-ethyl)-2-(S)-[3-(4-fluorophenyl)-ureido]-3-methyl-butyramide SEPRACOR, INC. (US) 2008-11-04 US disclosed
US-20070093522-A1 Peptidomimetic ligands for cellular receptors and ion channels PERSONS PAUL E 2007-04-26 US disclosed
US-20070093522-A1 Peptidomimetic ligands for cellular receptors and ion channels PERSONS PAUL E 2007-04-26 US disclosed
US-20070093522-A1 Peptidomimetic ligands for cellular receptors and ion channels PERSONS PAUL E 2007-04-26 US disclosed
US-7115664-B2 Peptidomimetic ligands for cellular receptors and ion channels SEPRACOR INC. (US) 2006-10-03 US disclosed
US-20050080271-A1 Peptidomimetic ligands for cellular receptors and ion channels SEPRACOR INC. 2005-04-14 US disclosed
WO-2001070684-A2 PEPTIDOMIMETIC LIGANDS FOR CELLULAR RECEPTORS AND ION CHANNELS SEPRACOR, INC. (US) 2001-09-27 WO 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-20070093522-A1 Peptidomimetic ligands for cellular receptors and ion channels OPRL1, TRPV1, ORAI1 KMT2A 2244/4885MEN1 4198/4885CCR4 1095/4885
US-20050080271-A1 Peptidomimetic ligands for cellular receptors and ion channels TRPV1, OPRL1, TRPV2 KMT2A 2630/4885MEN1 4407/4885CCR4 822/4885

“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.