SCHEMBL6045735

SCHEMBL6045735

Cc1csc(C2(N(C(=O)COC(=O)C(=O)OCC(=O)N(c3ccccc3)C3(c4nc(C)cs4)CCN(Cc4c(Cl)cccc4Cl)CC3)c3ccccc3)CCN(Cc3c(Cl)cccc3Cl)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALOX15 P16050 1/20 0.37
OPRM1 P35372 3/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL6045594 0.92 MEN1 (0.34) ALDH1A1OPRM1SIGMAR1NPSR1RAB9A
SCHEMBL6045534 0.91 CYP2D6 (0.41) POLBSMN1; SMN2ALDH1A1OPRM1SIGMAR1
SCHEMBL6045616 0.90 KDM4E (0.42) KDM4EPOLBTSHRSMN1; SMN2ALDH1A1
SCHEMBL6045497 0.88 CHRM2 (0.38) KDM4EPOLBTSHRSMN1; SMN2ALDH1A1
SCHEMBL6045779 0.87 CHRM2 (0.40) KDM4ESMN1; SMN2ALDH1A1OPRM1SIGMAR1
SCHEMBL6045740 0.87 CACNA1G (0.37) POLBALDH1A1OPRM1OPRD1SIGMAR1
Oxalic Acid SCHEMBL6045731 0.86 CHRM2 (0.37) KDM4EPOLBTSHRSMN1; SMN2ALDH1A1
SCHEMBL6045610 0.86 CHRM2 (0.39) KDM4EALDH1A1OPRM1SIGMAR1CYP3A4
SCHEMBL6045454 0.85 OPRM1 (0.44) POLBTSHRALDH1A1TDP1OPRM1
SCHEMBL6045588 0.84 OPRM1 (0.47) ALDH1A1OPRM1

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 KDM4E 3254/4885POLB 4597/4885TSHR 103/4885

“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.