SCHEMBL6045779

SCHEMBL6045779

Cc1csc(C2(N(C(=O)COC(=O)C(=O)OCC(=O)N(c3cccc(Cl)c3)C3(c4nc(C)cs4)CCN(Cc4ccccc4)CC3)c3cccc(Cl)c3)CCN(Cc3ccccc3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.40
CHRM3 P20309 3/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
OPRM1 P35372 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DRD2 P14416 1/20 0.35

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
SCHEMBL6045610 0.93 CHRM2 (0.39) CHRM2CHRM3ALDH1A1MEN1KMT2A
SCHEMBL6045534 0.93 CYP2D6 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL6045454 0.91 OPRM1 (0.44) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL6045495 0.90 OPRM1 (0.42) CHRM2CHRM3ALDH1A1MEN1KMT2A
Oxalic Acid SCHEMBL6045448 0.89 OPRM1 (0.41) CHRM2CHRM3ALDH1A1MEN1KMT2A
SCHEMBL6045524 0.88 CHRM2 (0.44) CHRM2CHRM3ALDH1A1SMN1; SMN2MAPK1
SCHEMBL6045740 0.87 CACNA1G (0.37) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL6045735 0.87 KDM4E (0.38) CHRM2CHRM3ALDH1A1SMN1; SMN2CYP3A4
Oxalic Acid SCHEMBL6045775 0.87 CHRM2 (0.43) CHRM2CHRM3ALDH1A1MEN1KMT2A
SCHEMBL6045579 0.86 OPRL1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1

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 CHRM2 630/4885CHRM3 364/4885ALDH1A1 4220/4885

“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.