SCHEMBL3014714

SCHEMBL3014714

CC1=C(C)N2CCN1CC2C(=O)OCCN(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRM3 P20309 1/20 0.37
CHRNA4 P43681 1/20 0.37
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PHLPP2 Q6ZVD8 1/20 0.33
PIK3CD O00329 1/20 0.32
ALDH1A1 P00352 5/20 0.32
MAPT P10636 3/20 0.32
THRB P10828 1/20 0.32
CYP2C19 P33261 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
BCHE P06276 2/20 0.32
DNM1 Q05193 1/20 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
SCHEMBL3018295 0.82 ALDH1A1 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3007661 0.77 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL3023227 0.76 CHRM2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL3009557 0.76 ALDH1A1 (0.37) ALDH1A1POLB
SCHEMBL3014717 0.74
SCHEMBL3019833 0.71 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL3003396 0.70 AGTR2 (0.36) NPSR1ALDH1A1MAPTKDM4E
SCHEMBL3019564 0.70 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1MAPTLMNATSHR
SCHEMBL3016719 0.70 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1MAPTLMNATSHR
SCHEMBL3022493 0.69 CHRM2 (0.37) 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 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.