SCHEMBL9925280

SCHEMBL9925280

CC(C)(C)CN1CCN(CC(=O)ON2C(=O)CCC2=O)CCN(CC(=O)OC(C)(C)C)CCN(CC(C)(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLA2G10 O15496 2/20 0.34
▸ PLA2G5 P39877 2/20 0.34
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ HTR4 Q13639 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CNR1 P21554 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
SCHEMBL3700587 0.93 PLA2G10 (0.38) PLA2G10PLA2G5CHRM2CHRM4CHRM1
SCHEMBL12092237 0.93 ALDH1A1 (0.32) ALDH1A1
SCHEMBL30069168 0.88 PLA2G10 (0.35) PLA2G10PLA2G5CHRM2CHRM4CHRM1
SCHEMBL3690735 0.87 PLA2G10 (0.37) PLA2G10PLA2G5CHRM2CHRM4CHRM1
SCHEMBL12018082 0.85 HTR4 (0.32) PLA2G10PLA2G5HTR4
SCHEMBL18022129 0.83 PLA2G10 (0.34) PLA2G10PLA2G5CHRM2CHRM4CHRM1
SCHEMBL17173825 0.82 HTR4 (0.32) HTR4
SCHEMBL9610825 0.79 VEGFA (0.39) HTR4KDM4EALDH1A1
SCHEMBL15831754 0.79 HSD17B10 (0.37) PLA2G10PLA2G5CHRM2CHRM4CHRM1
SCHEMBL25355536 0.78 WNT1 (0.39) PLA2G10PLA2G5HTR4KDM4EALDH1A1

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-20140271465-A1 MATRIX METALLOPROTEASE (MMP) TARGETED AGENTS FOR IMAGING AND THERAPY MALLINCKRODT LLC (US) 2014-09-18 — — US disclosed
US-20120148492-A1 BISPHOSPHONIC ACID DERIVATIVE AND COMPOUND THEREOF LABELED WITH RADIOACTIVE METAL NUCLIDE FUJIFILM RI PHARMA CO., LTD. (JP) 2012-06-14 — — US 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 (2 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-20140271465-A1 MATRIX METALLOPROTEASE (MMP) TARGETED AGENTS FOR IMAGING AND THERAPY MMP3, MMP26, MMP10 PLA2G10 2707/4885PLA2G5 2658/4885CHRM2 4603/4885
US-20120148492-A1 BISPHOSPHONIC ACID DERIVATIVE AND COMPOUND THEREOF LABELED WITH RADIOACTIVE METAL NUCLIDE PTH1R, SOST, BPGM PLA2G10 4055/4885PLA2G5 3156/4885CHRM2 2252/4885

“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.

Send feedback