SCHEMBL3019833

SCHEMBL3019833

CN(C)CCOC(=O)C1CN2CCN1CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRM3 P20309 1/20 0.41
CHRNA4 P43681 1/20 0.41
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
THRB P10828 1/20 0.35
DNM1 Q05193 1/20 0.34
PHLPP2 Q6ZVD8 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
BCHE P06276 2/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL3011272 0.82 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL3014721 0.81 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL15355170 0.78 MAPT (0.40) SMN1; SMN2ALDH1A1MAPT
SCHEMBL765596 0.78 MAPT (0.40) SMN1; SMN2ALDH1A1MAPT
SCHEMBL3020560 0.78 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL12881683 0.73 ALDH1A1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL3017696 0.72 MMP2 (0.41) ALDH1A1POLBCYP1A2CYP2C19GAA
SCHEMBL13601767 0.72 CHRNB2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL13601746 0.72 CHRNB2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL3019832 0.71 HSD17B10 (0.31)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204438-A1 METHOD FOR PRODUCING TEDA DERIVATIVES BASF SE (DE) 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-20100204438-A1 METHOD FOR PRODUCING TEDA DERIVATIVES TES, TRRAP, NAAA CHRM2 3790/4885CHRM4 4150/4885CHRM5 3575/4885

“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.