SCHEMBL4527746

SCHEMBL4527746

COC(=O)N(C)CC12CN(C(=O)O)CC(=O)N1CC1(CCN(Cc3ccccc3)CC1)N2C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 12/20 0.39
ALDH1A1 P00352 5/20 0.39
CYP3A4 P08684 6/20 0.38
TSHR P16473 5/20 0.38
BCHE P06276 3/20 0.37
ACHE P22303 3/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
ADRA1B P35368 1/20 0.35
CHRM2 P08172 3/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL4532216 0.86 CYP2D6 (0.45) CYP2D6ALDH1A1CYP3A4TSHRCYP1A2
SCHEMBL4528733 0.85 CYP2D6 (0.39) CYP2D6ALDH1A1CYP3A4TSHRHPGD
SCHEMBL4531837 0.84 CYP2D6 (0.38) CYP2D6ALDH1A1CYP3A4TSHRBCHE
SCHEMBL4519880 0.84 CYP2D6 (0.42) CYP2D6ALDH1A1CYP3A4TSHRHPGD
SCHEMBL4527417 0.84 CYP2D6 (0.46) CYP2D6ALDH1A1CYP3A4TSHRCYP1A2
SCHEMBL4526744 0.82 CYP2D6 (0.43) CYP2D6ALDH1A1CYP3A4TSHRHPGD
SCHEMBL4528484 0.77 F10 (0.43) CYP2D6ALDH1A1CYP3A4TSHRCYP1A2
SCHEMBL4533000 0.77 CYP2D6 (0.45) CYP2D6ALDH1A1CYP3A4TSHRCYP1A2
SCHEMBL4534827 0.77 CYP2D6 (0.44) CYP2D6ALDH1A1CYP3A4TSHRCYP1A2
SCHEMBL4527683 0.69 SIGMAR1 (0.42) CYP2D6ALDH1A1CYP3A4TSHRUSP2

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-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
EP-1864984-A1 TRICYCLIC SPIRO COMPOUND COMPRISING ACYL GROUP BOUND TO NITROGEN ATOM IN THE RING MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP 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 465/4885ALDH1A1 2791/4885CYP3A4 344/4885

“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.