SCHEMBL4517547

SCHEMBL4517547

CC(=O)NCC12CNCC(=O)N1CC1(CCN(Cc3ccccc3)CC1)N2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.40
NPFFR1 Q9GZQ6 5/20 0.39
NPFFR2 Q9Y5X5 5/20 0.39
ALDH1A1 P00352 2/20 0.37
TSHR P16473 3/20 0.37
OPRM1 P35372 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
OPRK1 P41145 2/20 0.36
OPRD1 P41143 1/20 0.36
OPRL1 P41146 1/20 0.36
CHRM2 P08172 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
SCHEMBL4526744 0.83 CYP2D6 (0.43) CYP2D6NPFFR1NPFFR2ALDH1A1TSHR
SCHEMBL4530558 0.83 CYP2D6 (0.40) CYP2D6ALDH1A1TSHROPRM1SIGMAR1
SCHEMBL4531837 0.82 CYP2D6 (0.38) CYP2D6ALDH1A1TSHROPRM1SIGMAR1
SCHEMBL4517544 0.79 CYP2D6 (0.42) CYP2D6ALDH1A1TSHROPRM1SIGMAR1
SCHEMBL4524242 0.79 CXCR4 (0.37) CYP2D6ALDH1A1TSHROPRM1SIGMAR1
SCHEMBL4531718 0.75 CYP2D6 (0.41) CYP2D6ALDH1A1TSHROPRM1SIGMAR1
SCHEMBL4519880 0.74 CYP2D6 (0.42) CYP2D6NPFFR1NPFFR2ALDH1A1TSHR
SCHEMBL4518334 0.74 CYP2D6 (0.39) CYP2D6ALDH1A1TSHROPRM1SIGMAR1
SCHEMBL4531716 0.73 CYP2D6 (0.39) CYP2D6ALDH1A1TSHROPRM1SIGMAR1
SCHEMBL4527417 0.71 CYP2D6 (0.46) CYP2D6ALDH1A1TSHRCYP3A4CYP2C19

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 465/4885NPFFR1 815/4885NPFFR2 796/4885

“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.