SCHEMBL4517544

SCHEMBL4517544

CC(=O)C(N)C12CNCC(=O)N1CC1(CCN(Cc3ccccc3)CC1)N2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.42
ALDH1A1 P00352 5/20 0.41
TSHR P16473 5/20 0.40
CYP3A4 P08684 3/20 0.38
OPRM1 P35372 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM3 P20309 1/20 0.36
DPP4 P27487 1/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4517547 0.79 CYP2D6 (0.40) CYP2D6ALDH1A1TSHRCYP3A4OPRM1
SCHEMBL4530558 0.78 CYP2D6 (0.40) CYP2D6ALDH1A1TSHRCYP3A4OPRM1
SCHEMBL4524242 0.75 CXCR4 (0.37) CYP2D6ALDH1A1TSHRCYP3A4OPRM1
SCHEMBL4531837 0.75 CYP2D6 (0.38) CYP2D6ALDH1A1TSHRCYP3A4OPRM1
SCHEMBL4531718 0.73 CYP2D6 (0.41) CYP2D6ALDH1A1TSHRCYP3A4OPRM1
SCHEMBL4531716 0.73 CYP2D6 (0.39) CYP2D6ALDH1A1TSHRCYP3A4OPRM1
SCHEMBL4527417 0.69 CYP2D6 (0.46) CYP2D6ALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL6078460 0.67 SIGMAR1 (0.46) CYP2D6ALDH1A1TSHRCYP3A4OPRM1
SCHEMBL4515626 0.67 SIGMAR1 (0.43) CYP2D6ALDH1A1TSHRCYP3A4OPRM1
SCHEMBL4526744 0.66 CYP2D6 (0.43) CYP2D6ALDH1A1TSHRCYP3A4OPRM1

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 2791/4885TSHR 561/4885

“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.