SCHEMBL6045495

SCHEMBL6045495

CCC(=O)N(c1cccc(Cl)c1)C1(c2nc(C)cs2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.42
SIGMAR1 Q99720 9/20 0.42
KCNH2 Q12809 3/20 0.42
CHRM2 P08172 2/20 0.41
CHRM3 P20309 2/20 0.41
ACHE P22303 1/20 0.41
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39

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
Oxalic Acid SCHEMBL6045448 0.98 OPRM1 (0.41) OPRM1SIGMAR1KCNH2CHRM2CHRM3
SCHEMBL6045551 0.92 OPRM1 (0.43) OPRM1SIGMAR1KCNH2CHRM2CHRM3
SCHEMBL6045648 0.92 OPRM1 (0.47) OPRM1SIGMAR1KCNH2ACHEOPRD1
SCHEMBL6045524 0.91 CHRM2 (0.44) SIGMAR1CHRM2CHRM3ACHEALDH1A1
Oxalic Acid SCHEMBL6045481 0.91 KDM4E (0.42) OPRM1SIGMAR1KCNH2CHRM2CHRM3
SCHEMBL6045530 0.90 ALDH1A1 (0.44) OPRM1SIGMAR1CHRM2CHRM3OPRD1
Oxalic Acid SCHEMBL6045490 0.90 OPRM1 (0.46) OPRM1SIGMAR1KCNH2ACHEOPRD1
SCHEMBL6045779 0.90 CHRM2 (0.40) OPRM1SIGMAR1CHRM2CHRM3ALDH1A1
Oxalic Acid SCHEMBL6045775 0.90 CHRM2 (0.43) SIGMAR1CHRM2CHRM3ACHEALDH1A1
Oxalic Acid SCHEMBL6045777 0.89 ALDH1A1 (0.43) OPRM1SIGMAR1CHRM2CHRM3OPRD1

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
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 OPRM1 148/4885SIGMAR1 179/4885KCNH2 1132/4885

“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.