SCHEMBL4520059

SCHEMBL4520059

COCC12CN(C(=O)O)CC(=O)N1CC1(CCN(Cc3ccccc3)CC1)O2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.45
MGLL Q99685 2/20 0.43
SIGMAR1 Q99720 5/20 0.42
OPRM1 P35372 3/20 0.42
CYP3A4 P08684 5/20 0.41
ALDH1A1 P00352 3/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 4/20 0.41
CHRM2 P08172 3/20 0.39
CHRM3 P20309 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL6079536 0.91 CYP2D6 (0.42) CYP2D6MGLLSIGMAR1OPRM1CYP3A4
SCHEMBL4534459 0.87 SIGMAR1 (0.44) CYP2D6MGLLSIGMAR1OPRM1CYP3A4
SCHEMBL4532180 0.86 SIGMAR1 (0.42) CYP2D6MGLLSIGMAR1OPRM1CYP3A4
SCHEMBL4527683 0.86 SIGMAR1 (0.42) CYP2D6MGLLSIGMAR1OPRM1CYP3A4
SCHEMBL4525850 0.83 MGLL (0.33) CYP2D6MGLLALDH1A1MAPK1CYP2C19
SCHEMBL6079058 0.83 MGLL (0.42) CYP2D6MGLLSIGMAR1OPRM1CYP3A4
SCHEMBL6078660 0.81 MEN1 (0.43) CYP2D6MGLLSIGMAR1OPRM1CYP3A4
SCHEMBL4515626 0.80 SIGMAR1 (0.43) CYP2D6MGLLSIGMAR1OPRM1CYP3A4
SCHEMBL4530315 0.80 SIGMAR1 (0.36) CYP2D6MGLLSIGMAR1OPRM1CYP3A4
SCHEMBL7257489 0.79 LMNA (0.43) CYP2D6SIGMAR1OPRM1CYP3A4ALDH1A1

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 465/4885MGLL 4624/4885SIGMAR1 2719/4885

“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.