SCHEMBL4526100

SCHEMBL4526100

CC(=O)N1CCC2(CC1)CN1C(=O)CN(C(=O)O)CC1(CO)N2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.36
ALDH1A1 P00352 3/20 0.33
CYP2C19 P33261 2/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
CYP2D6 P10635 3/20 0.32
CYP3A4 P08684 2/20 0.31
USP2 O75604 2/20 0.31
HIF1A Q16665 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 2/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL4520507 0.85 SMN1; SMN2 (0.33) CYP3A4
SCHEMBL4522884 0.77 ALDH1A1 (0.38) ALDH1A1CYP2C19MAPK1GAAGFER
SCHEMBL14345001 0.74
Trifluoromethanesulfonic Acid SCHEMBL4529572 0.72 F10 (0.31) F10CYP2D6CYP3A4USP2HPGD
SCHEMBL4530692 0.70
SCHEMBL4529575 0.66 TACR1 (0.30) USP2HPGD
SCHEMBL4525850 0.64 MGLL (0.33) ALDH1A1CYP2C19MAPK1GAACYP2D6
SCHEMBL4520833 0.64 ALDH1A1 (0.31) ALDH1A1CYP2C19MAPK1CYP2D6
SCHEMBL13414734 0.62 GAA (0.40) ALDH1A1CYP2C19MAPK1GAAGFER
SCHEMBL30174827 0.61 CYP11B1 (0.43) ALDH1A1CYP2C19MAPK1GAAGFER

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 F10 157/4885ALDH1A1 2791/4885CYP2C19 215/4885

“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.