SCHEMBL3011272

SCHEMBL3011272

CC1CN2CCN1CC2C(=O)OCCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRM3 P20309 1/20 0.39
CHRNA4 P43681 1/20 0.39
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
THRB P10828 1/20 0.33
DNM1 Q05193 1/20 0.33
PHLPP2 Q6ZVD8 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
BCHE P06276 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
SCHEMBL3019833 0.82 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL3020560 0.81 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL3023499 0.80 MAPT (0.38) SMN1; SMN2MAPTALDH1A1
SCHEMBL3014721 0.75 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL3013238 0.74 TSHR (0.39) ALDH1A1
SCHEMBL12881683 0.73 ALDH1A1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL3009430 0.70
SCHEMBL13601746 0.70 CHRNB2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL13601767 0.70 CHRNB2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL9247490 0.69 FKBP1A (0.40) CHRM2CHRM4CHRM5CHRM1CHRNB2

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 3 patents. 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
EP-2197882-A2 METHOD FOR PRODUCING TEDA DERIVATIVES Basf Se (DE) 2010-06-23 EP disclosed
WO-2009030649-A2 METHOD FOR PRODUCING TEDA DERIVATIVES BASF SE (DE) 2009-03-12 WO 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.