SCHEMBL6045599

SCHEMBL6045599

CC(=O)N(c1ccccc1C)C1(c2nc(C)cs2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.42
CHRM2 P08172 3/20 0.40
CHRM3 P20309 3/20 0.40
ALDH1A1 P00352 3/20 0.39
ACHE P22303 1/20 0.39
OPRM1 P35372 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6045488 0.92 OPRM1 (0.42) CYP2D6ALDH1A1OPRM1MAPK1CYP3A4
SCHEMBL6045421 0.90 CYP2D6 (0.44) CYP2D6CHRM2CHRM3ALDH1A1ACHE
Oxalic Acid SCHEMBL6045747 0.90 OPRM1 (0.41) CYP2D6ALDH1A1OPRM1MAPK1CYP3A4
Oxalic Acid SCHEMBL6045529 0.88 CYP2D6 (0.42) CYP2D6CHRM2CHRM3ALDH1A1ACHE
Fumaric Acid SCHEMBL6045570 0.86 SIGMAR1 (0.41) CYP2D6CHRM2CHRM3ALDH1A1ACHE
Fumaric Acid SCHEMBL6045576 0.86 SIGMAR1 (0.41) CYP2D6CHRM2CHRM3ALDH1A1ACHE
SCHEMBL6045562 0.85 CHRM2 (0.43) CYP2D6CHRM2CHRM3ALDH1A1ACHE
SCHEMBL6045636 0.85 DRD4 (0.44) CYP2D6CHRM2CHRM3ALDH1A1MEN1
SCHEMBL6045538 0.85 CYP3A4 (0.42) CYP2D6ALDH1A1ACHEMEN1KMT2A
SCHEMBL6045524 0.84 CHRM2 (0.44) CYP2D6CHRM2CHRM3ALDH1A1ACHE

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-20060252797-A1 Receptor regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-09 US claimed
EP-1559428-A1 RECEPTOR REGULATOR Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP claimed
US-20060252797-A1 Receptor regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-09 US disclosed
EP-1559428-A1 RECEPTOR REGULATOR Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP 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-20060252797-A1 Receptor regulator NMUR1, NMUR2, NMBR CYP2D6 4634/4885CHRM2 630/4885CHRM3 364/4885

“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.