SCHEMBL4809583

SCHEMBL4809583

CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.51
DRD2 P14416 7/20 0.50
DRD4 P21917 7/20 0.50
HRH2 P25021 4/20 0.49
HRH1 P35367 4/20 0.49
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BACE1 P56817 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MC4R P32245 1/20 0.47
KCNA3 P22001 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
SCHEMBL14002041 1.00 MCHR1 (0.51) MCHR1DRD2DRD4HRH2HRH1
SCHEMBL6106470 1.00 MCHR1 (0.51) MCHR1DRD2DRD4HRH2HRH1
SCHEMBL7568071 0.89 HRH2 (0.61) MCHR1DRD2DRD4HRH2HRH1
SCHEMBL28249803 0.89 HRH2 (0.61) MCHR1DRD2DRD4HRH2HRH1
SCHEMBL7568066 0.89 HRH2 (0.61) MCHR1DRD2DRD4HRH2HRH1
SCHEMBL9384147 0.89 HRH2 (0.61) MCHR1DRD2DRD4HRH2HRH1
SCHEMBL2241423 0.86 KMT2A (0.63) MCHR1DRD2DRD4BACE1KMT2A
SCHEMBL2241424 0.86 KMT2A (0.63) MCHR1DRD2DRD4BACE1KMT2A
SCHEMBL178929 0.86 KMT2A (0.63) MCHR1DRD2DRD4BACE1KMT2A
SCHEMBL7415020 0.85 UTS2R (0.62) DRD2DRD4HRH2HRH1

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 4 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-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

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 MCHR1 229/4885DRD2 455/4885DRD4 775/4885
US-20050080271-A1 Peptidomimetic ligands for cellular receptors and ion channels TRPV1, OPRL1, TRPV2 MCHR1 326/4885DRD2 717/4885DRD4 1495/4885

“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.