SCHEMBL3495133

SCHEMBL3495133

O=C(O)C1C2CCC(O2)C1C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.68
SIGMAR1 Q99720 7/20 0.60
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
DRD4 P21917 3/20 0.56
DRD2 P14416 1/20 0.56
DRD3 P35462 1/20 0.56
KMT2A Q03164 1/20 0.56
TFPI2 P48307 1/20 0.56
DPP7 Q9UHL4 1/20 0.55
LMNA P02545 1/20 0.54
PPP1CA P62136 1/20 0.54

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
SCHEMBL13311736 1.00 SMN1; SMN2 (0.68) SMN1; SMN2SIGMAR1MAPTMAPK1DRD4
SCHEMBL2326970 0.79 TFPI2 (0.68) KMT2ATFPI2
SCHEMBL9880151 0.79 TFPI2 (0.68) KMT2ATFPI2
SCHEMBL19341777 0.79 TFPI2 (0.68) KMT2ATFPI2
SCHEMBL2425554 0.78 SIGMAR1 (0.78) SIGMAR1MAPK1DRD4DRD2DRD3
SCHEMBL2333833 0.76 PPP1CA (0.49) SIGMAR1TFPI2LMNAPPP1CA
Hydrochloric Acid SCHEMBL21410212 0.76 SIGMAR1 (0.76) SIGMAR1MAPK1DRD4DRD2DRD3
SCHEMBL6378224 0.76 CYP2C19 (0.70) SMN1; SMN2SIGMAR1DRD4DRD2DRD3
SCHEMBL3164487 0.75 SIGMAR1 (0.74) SIGMAR1MAPK1DRD4DRD2DRD3
SCHEMBL28996046 0.75 SIGMAR1 (0.74) SIGMAR1MAPK1DRD4DRD2DRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137294-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS GENETIC TECHNOLOGIES LIMITED (AU) 2010-06-03 US disclosed
EP-2086534-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS Genetic Technologies Limited (AU) 2009-08-12 EP disclosed
WO-2008058342-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS GENETIC TECHNOLOGIES LIMITED (AU) 2008-05-22 WO 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-20100137294-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS PPP1R10, TASP1, PPP5C SMN1; SMN2 3065/4885SIGMAR1 4693/4885MAPT 1965/4885

“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.