SCHEMBL6045697

SCHEMBL6045697

CC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(Cc2cccnc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CHRM2 P08172 1/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
MAPT P10636 1/20 0.40
CYP2D6 P10635 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PKM P14618 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6045421 0.92 CYP2D6 (0.44) CHRM2ALDH1A1OPRM1CYP2D6SIGMAR1
SCHEMBL6045538 0.90 CYP3A4 (0.42) KDM4EALDH1A1OPRL1CYP2D6MEN1
Oxalic Acid SCHEMBL6045529 0.90 CYP2D6 (0.42) CHRM2ALDH1A1OPRM1CYP2D6SIGMAR1
Fumaric Acid SCHEMBL6045570 0.87 SIGMAR1 (0.41) CHRM2ALDH1A1CYP2D6SIGMAR1
Fumaric Acid SCHEMBL6045576 0.87 SIGMAR1 (0.41) CHRM2ALDH1A1CYP2D6SIGMAR1
SCHEMBL6045636 0.86 DRD4 (0.44) CHRM2KDM4EALDH1A1CYP2D6SIGMAR1
SCHEMBL6045705 0.85 ACHE (0.41) CYP2D6MEN1KMT2A
SCHEMBL6045684 0.85 CHRM2 (0.47) CHRM2KDM4EALDH1A1SIGMAR1MEN1
SCHEMBL6045562 0.85 CHRM2 (0.43) CHRM2KDM4EALDH1A1MAPTCYP2D6
SCHEMBL6045627 0.85 ACHE (0.38) CHRM2ALDH1A1OPRM1OPRD1CYP2D6

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 POLB 4597/4885CHRM2 630/4885KDM4E 3254/4885

“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.