SCHEMBL4533000

SCHEMBL4533000

COCC12CN(C(=O)O)CC(=O)N1CC1(CCN(Cc3ccccc3)CC1)N2CCO

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 11/20 0.45
TSHR P16473 5/20 0.41
CYP3A4 P08684 5/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 3/20 0.39
USP2 O75604 1/20 0.39
CHRM2 P08172 3/20 0.37
CHRM3 P20309 2/20 0.37
CYP2C19 P33261 2/20 0.37
GHSR Q92847 1/20 0.36
ADRA1B P35368 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
MGLL Q99685 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL4534827 0.91 CYP2D6 (0.44) CYP2D6TSHRCYP3A4ALDH1A1MAPK1
SCHEMBL4532216 0.89 CYP2D6 (0.45) CYP2D6TSHRCYP3A4ALDH1A1MAPK1
SCHEMBL4531718 0.83 CYP2D6 (0.41) CYP2D6TSHRCYP3A4ALDH1A1MAPK1
SCHEMBL4527417 0.81 CYP2D6 (0.46) CYP2D6TSHRCYP3A4ALDH1A1MAPK1
SCHEMBL4519880 0.78 CYP2D6 (0.42) CYP2D6TSHRCYP3A4ALDH1A1MAPK1
SCHEMBL4527746 0.77 CYP2D6 (0.39) CYP2D6TSHRCYP3A4ALDH1A1MAPK1
SCHEMBL4526744 0.76 CYP2D6 (0.43) CYP2D6TSHRCYP3A4ALDH1A1MAPK1
SCHEMBL4518984 0.76 F10 (0.42) CYP2D6TSHRCYP3A4ALDH1A1MAPK1
SCHEMBL4528733 0.74 CYP2D6 (0.39) CYP2D6TSHRCYP3A4ALDH1A1MAPK1
SCHEMBL4522977 0.74 CYP2D6 (0.47) CYP2D6TSHRCYP3A4ALDH1A1MAPK1

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 465/4885TSHR 561/4885CYP3A4 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.