SCHEMBL6045454

SCHEMBL6045454

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
SIGMAR1 Q99720 2/20 0.44
KCNH2 Q12809 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ACHE P22303 1/20 0.41
MAPK1 P28482 3/20 0.40
CYP2D6 P10635 3/20 0.40
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
OPRD1 P41143 1/20 0.36
CACNA2D1 P54289 1/20 0.36

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 0.92 CHRM2 (0.39) OPRM1SIGMAR1MEN1KMT2AMAPK1
SCHEMBL6045534 0.92 CYP2D6 (0.41) OPRM1SIGMAR1MEN1KMT2AMAPK1
SCHEMBL6045779 0.91 CHRM2 (0.40) OPRM1SIGMAR1MEN1KMT2AMAPK1
SCHEMBL6045740 0.91 CACNA1G (0.37) OPRM1SIGMAR1KCNH2MEN1KMT2A
SCHEMBL6045587 0.88 ACHE (0.49) OPRM1SIGMAR1KCNH2MEN1KMT2A
Oxalic Acid SCHEMBL6045449 0.87 ACHE (0.47) OPRM1SIGMAR1KCNH2MEN1KMT2A
SCHEMBL6045579 0.87 OPRL1 (0.40) SIGMAR1KCNH2MEN1KMT2ALMNA
SCHEMBL6045616 0.86 KDM4E (0.42) OPRM1KCNH2MEN1KMT2AMAPK1
SCHEMBL6045735 0.85 KDM4E (0.38) OPRM1SIGMAR1TDP1ALDH1A1POLB
SCHEMBL6045572 0.84 CYP2D6 (0.39) OPRM1SIGMAR1MEN1KMT2AMAPK1

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.