SCHEMBL4519652

SCHEMBL4519652

CC(C)OCC12CN(C(=O)O)CC(=O)N1CC1(CCN(Cc3ccccc3)CC1)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.41
CYP3A4 P08684 5/20 0.39
ALDH1A1 P00352 3/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 4/20 0.38
CHRM2 P08172 3/20 0.38
CHRM3 P20309 2/20 0.38
APOBEC3A P31941 1/20 0.36
RECQL P46063 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
MGLL Q99685 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 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
SCHEMBL4522977 0.90 CYP2D6 (0.47) CYP2D6CYP3A4ALDH1A1USP2MAPK1
SCHEMBL4237209 0.85 CYP2D6 (0.41) CYP2D6CYP3A4ALDH1A1USP2MAPK1
SCHEMBL4454901 0.84 CYP2D6 (0.42) CYP2D6CYP3A4ALDH1A1USP2MAPK1
SCHEMBL6079416 0.81 CYP2D6 (0.45) CYP2D6CYP3A4ALDH1A1USP2MAPK1
SCHEMBL4526398 0.75 CYP2D6 (0.48) CYP2D6CYP3A4ALDH1A1USP2MAPK1
SCHEMBL4449570 0.75 POLB (0.43) ALDH1A1MEN1KMT2A
SCHEMBL4452402 0.75 CYP2D6 (0.33) CYP2D6CYP3A4ALDH1A1USP2MAPK1
SCHEMBL4454104 0.73 POLB (0.44) ALDH1A1MAPK1MEN1KMT2A
SCHEMBL4515776 0.71 CYP2D6 (0.43) CYP2D6CYP3A4ALDH1A1USP2MAPK1
SCHEMBL4532216 0.69 CYP2D6 (0.45) CYP2D6CYP3A4ALDH1A1USP2MAPK1

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 465/4885CYP3A4 344/4885ALDH1A1 2791/4885

“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.