SCHEMBL4532180

SCHEMBL4532180

CNCC12CN(C(=O)O)CC(=O)N1CC1(CCN(Cc3ccccc3)CC1)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.42
OPRM1 P35372 3/20 0.42
CYP2D6 P10635 5/20 0.42
MGLL Q99685 1/20 0.39
CHRM2 P08172 4/20 0.39
CHRM3 P20309 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 1/20 0.38
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38

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
SCHEMBL4534459 0.87 SIGMAR1 (0.44) SIGMAR1OPRM1CYP2D6MGLLCHRM2
SCHEMBL4520059 0.86 CYP2D6 (0.45) SIGMAR1OPRM1CYP2D6MGLLCHRM2
SCHEMBL4527683 0.86 SIGMAR1 (0.42) SIGMAR1OPRM1CYP2D6MGLLCHRM2
SCHEMBL4532064 0.80 POLB (0.44) SIGMAR1OPRM1ALDH1A1
SCHEMBL4530315 0.79 SIGMAR1 (0.36) SIGMAR1OPRM1CYP2D6MGLLCHRM2
SCHEMBL6079536 0.78 CYP2D6 (0.42) SIGMAR1OPRM1CYP2D6MGLLCHRM2
SCHEMBL6078660 0.77 MEN1 (0.43) SIGMAR1OPRM1CYP2D6MGLLCHRM2
SCHEMBL6079058 0.77 MGLL (0.42) SIGMAR1OPRM1CYP2D6MGLLCHRM2
SCHEMBL4519880 0.77 CYP2D6 (0.42) SIGMAR1OPRM1CYP2D6CHRM2CHRM3
SCHEMBL4454901 0.77 CYP2D6 (0.42) OPRM1CYP2D6CHRM2CHRM3ALDH1A1

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 SIGMAR1 2719/4885OPRM1 2090/4885CYP2D6 465/4885

“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.