SCHEMBL4519880

SCHEMBL4519880

CNCC12CN(C(=O)O)CC(=O)N1CC1(CCN(Cc3ccccc3)CC1)N2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 11/20 0.42
CYP2C19 P33261 2/20 0.39
CHRM2 P08172 3/20 0.39
CHRM3 P20309 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 4/20 0.39
NPFFR1 Q9GZQ6 2/20 0.38
NPFFR2 Q9Y5X5 2/20 0.38
TSHR P16473 3/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL4526744 0.91 CYP2D6 (0.43) CYP2D6CYP2C19CHRM2CHRM3ALDH1A1
SCHEMBL4527417 0.88 CYP2D6 (0.46) CYP2D6CYP2C19CHRM2CHRM3ALDH1A1
SCHEMBL4532216 0.86 CYP2D6 (0.45) CYP2D6CYP2C19CHRM2CHRM3ALDH1A1
SCHEMBL4527746 0.84 CYP2D6 (0.39) CYP2D6CYP2C19CHRM2CHRM3ALDH1A1
SCHEMBL4528733 0.83 CYP2D6 (0.39) CYP2D6CYP2C19CHRM2CHRM3ALDH1A1
SCHEMBL4533000 0.78 CYP2D6 (0.45) CYP2D6CYP2C19CHRM2CHRM3ALDH1A1
SCHEMBL4534827 0.77 CYP2D6 (0.44) CYP2D6CYP2C19CHRM2CHRM3ALDH1A1
SCHEMBL4454901 0.77 CYP2D6 (0.42) CYP2D6CYP2C19CHRM2CHRM3ALDH1A1
SCHEMBL4532180 0.77 SIGMAR1 (0.42) CYP2D6CHRM2CHRM3ALDH1A1CYP3A4
SCHEMBL4517547 0.74 CYP2D6 (0.40) CYP2D6CYP2C19CHRM2CHRM3ALDH1A1

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-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-03-19 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-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring KCNH1, SCN1A, SCN10A CYP2D6 465/4885CYP2C19 215/4885CHRM2 4608/4885

“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.