SCHEMBL782744

SCHEMBL782744

N#CC1(O)CCN(OCc2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
OPRM1 P35372 2/20 0.39
CTSL P07711 3/20 0.39
CTSB P07858 3/20 0.39
CTSK P43235 3/20 0.39
DHFR P00374 4/20 0.37
PREP P48147 2/20 0.37
DPP4 P27487 1/20 0.36
OPRL1 P41146 1/20 0.36
SMN1; SMN2 Q16637 2/20 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
SCHEMBL9290068 0.80 DHFR (0.43) ALDH1A1DHFRDPP4OPRL1SMN1; SMN2
SCHEMBL62966 0.76 OPRM1 (0.65) ALDH1A1OPRM1OPRL1
Hydrochloric Acid SCHEMBL1147552 0.75 OPRM1 (0.63) ALDH1A1OPRM1OPRL1
SCHEMBL27685545 0.74 SMN1; SMN2 (0.62) OPRM1SMN1; SMN2
SCHEMBL2422456 0.74 DHFR (0.41) ALDH1A1OPRM1DHFROPRL1SMN1; SMN2
SCHEMBL15094370 0.73 TSHR (0.46) ALDH1A1DHFR
SCHEMBL2982806 0.73 TSHR (0.46) ALDH1A1DHFR
SCHEMBL782588 0.72 HTT (0.41) ALDH1A1OPRM1SMN1; SMN2
SCHEMBL3271874 0.72 MEN1 (0.51) ALDH1A1SMN1; SMN2
SCHEMBL8850087 0.72 NPC1 (0.54) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8574607-B2 Spiroheterocyclic thiofuran dione derivatives SYNGENTA CROP PROTECTION, INC. (US) 2013-11-05 US disclosed
US-8574607-B2 Spiroheterocyclic thiofuran dione derivatives SYNGENTA CROP PROTECTION, INC. (US) 2013-11-05 US disclosed
US-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-22 US disclosed
US-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-22 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 (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-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES DDT, DHFR, CYP1A1 ALDH1A1 23/4885OPRM1 1841/4885CTSL 4025/4885

“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.