SCHEMBL6045488

SCHEMBL6045488

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.42
SIGMAR1 Q99720 9/20 0.42
KCNH2 Q12809 1/20 0.42
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 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 SCHEMBL6045747 0.98 OPRM1 (0.41) OPRM1SIGMAR1KCNH2CYP2D6CYP3A4
SCHEMBL6045599 0.92 CYP2D6 (0.42) OPRM1CYP2D6CYP3A4ALDH1A1MAPK1
SCHEMBL6045648 0.90 OPRM1 (0.47) OPRM1SIGMAR1KCNH2
Oxalic Acid SCHEMBL6045490 0.88 OPRM1 (0.46) OPRM1SIGMAR1KCNH2
SCHEMBL6045547 0.87 OPRM1 (0.44) OPRM1SIGMAR1KCNH2
SCHEMBL6045530 0.86 ALDH1A1 (0.44) OPRM1SIGMAR1ALDH1A1
SCHEMBL6045551 0.85 OPRM1 (0.43) OPRM1SIGMAR1KCNH2ALDH1A1MAPK1
Oxalic Acid SCHEMBL6045777 0.85 ALDH1A1 (0.43) OPRM1SIGMAR1ALDH1A1
SCHEMBL6045495 0.84 OPRM1 (0.42) OPRM1SIGMAR1KCNH2ALDH1A1MAPK1
Oxalic Acid SCHEMBL6045481 0.83 KDM4E (0.42) OPRM1SIGMAR1KCNH2ALDH1A1

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.