SCHEMBL3022329

SCHEMBL3022329

CCOC(=O)c1cc(-c2cc(C(=O)OC)co2)cc(CN2CCNCCNCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.37
PAICS P22234 3/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
SYK P43405 1/20 0.35
KDM5C P41229 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 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
SCHEMBL3693210 0.92 CHRM2 (0.39) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL3004832 0.81 CYP1A2 (0.37) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL3477764 0.80 ALDH1A1 (0.40) PAICSKDM5CKDM4CADORA3KDM4E
SCHEMBL3016916 0.80 CYP1A2 (0.36) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL10317013 0.77 LMNA (0.37) KDM5CKDM4CKDM4EMEN1KMT2A
SCHEMBL3021173 0.76 ALDH1A1 (0.38) KDM4EMEN1KMT2ATP53MAPT
SCHEMBL19600489 0.73 KDM5C (0.44) CHRM3SYKKDM5CKDM4CKDM4E
SCHEMBL3009328 0.72 NLRP3 (0.36) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL19529557 0.71 ALDH1A1 (0.39) KDM5CKDM4CKDM4EMEN1KMT2A
SCHEMBL17481786 0.70 MEN1 (0.41) CHRM3PAICSSYKKDM5CKDM4C

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-8221719-B2 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2012-07-17 US disclosed
US-20100204442-A1 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2010-08-12 US 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-20100204442-A1 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof LNPEP, SLC39A3, LAP3 CHRM3 3315/4885PAICS 168/4885CHRM2 4641/4885

“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.