SCHEMBL6045579

SCHEMBL6045579

Cc1csc(C2(N(C(=O)COC(=O)C(=O)OCC(=O)N(c3ccccc3)C3(c4nc(C)cs4)CCN(Cc4cccc(C(F)(F)F)c4)CC3)c3ccccc3)CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.40
FAAH O00519 1/20 0.40
PHGDH O43175 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 2/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6045534 0.90 CYP2D6 (0.41) SIGMAR1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6045508 0.89 FAAH (0.43) OPRL1FAAHPHGDHSIGMAR1KCNH2
Oxalic Acid SCHEMBL6045577 0.88 FAAH (0.42) OPRL1FAAHPHGDHSIGMAR1KMT2A
SCHEMBL6045454 0.87 OPRM1 (0.44) SIGMAR1MEN1KMT2AKCNH2ALDH1A1
SCHEMBL6045610 0.87 CHRM2 (0.39) SIGMAR1MEN1KMT2AALDH1A1LMNA
SCHEMBL6045779 0.86 CHRM2 (0.40) SIGMAR1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6045740 0.86 CACNA1G (0.37) SIGMAR1MEN1KMT2AKCNH2ALDH1A1
SCHEMBL6045602 0.85 KDM4E (0.46) PHGDHMEN1KMT2AKCNH2ALDH1A1
SCHEMBL6045616 0.84 KDM4E (0.42) MEN1KMT2AKCNH2ALDH1A1SMN1; SMN2
SCHEMBL6045594 0.84 MEN1 (0.34) SIGMAR1MEN1KMT2AALDH1A1LMNA

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 OPRL1 71/4885FAAH 2297/4885PHGDH 4315/4885

“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.