SCHEMBL6045684

SCHEMBL6045684

CC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(Cc2cccc(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.47
CHRM3 P20309 3/20 0.47
SIGMAR1 Q99720 3/20 0.43
ATM Q13315 1/20 0.41
FAAH O00519 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PHGDH O43175 1/20 0.40
GPR6 P46095 1/20 0.39
DRD2 P14416 1/20 0.39
ACHE P22303 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL6045524 0.96 CHRM2 (0.44) CHRM2CHRM3SIGMAR1ATMKDM4E
Oxalic Acid SCHEMBL6045775 0.94 CHRM2 (0.43) CHRM2CHRM3SIGMAR1ATMKDM4E
SCHEMBL6045421 0.93 CYP2D6 (0.44) CHRM2CHRM3SIGMAR1ALDH1A1ACHE
SCHEMBL6045636 0.91 DRD4 (0.44) CHRM2CHRM3SIGMAR1KDM4EALDH1A1
Oxalic Acid SCHEMBL6045529 0.91 CYP2D6 (0.42) CHRM2CHRM3SIGMAR1ALDH1A1ACHE
SCHEMBL6045562 0.89 CHRM2 (0.43) CHRM2CHRM3FAAHKDM4EALDH1A1
Fumaric Acid SCHEMBL6045570 0.88 SIGMAR1 (0.41) CHRM2CHRM3SIGMAR1ALDH1A1DRD2
Fumaric Acid SCHEMBL6045576 0.88 SIGMAR1 (0.41) CHRM2CHRM3SIGMAR1ALDH1A1DRD2
Oxalic Acid SCHEMBL6045606 0.88 ALDH1A1 (0.43) CHRM2CHRM3KDM4EALDH1A1ACHE
SCHEMBL6045587 0.88 ACHE (0.49) SIGMAR1KDM4EALDH1A1TSHRACHE

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 364/4885SIGMAR1 179/4885

“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.