SCHEMBL3400402

SCHEMBL3400402

CCC(CC)C(N)C(C#N)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 4/20 0.35
SLC1A3 P43003 3/20 0.35
SLC1A1 P43005 3/20 0.35
CTSC P53634 4/20 0.33
SLC7A5 Q01650 1/20 0.30
GRIK1 P39086 4/20 0.30
GRIK2 Q13002 4/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CTSH P09668 1/20 0.30
CYP2D6 P10635 1/20 0.30
CTSK P43235 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
SCHEMBL3367991 0.78 OR51E2 (0.31)
SCHEMBL2147382 0.72 CA2 (0.35) SLC1A2SLC1A3SLC1A1
SCHEMBL23482770 0.72
SCHEMBL28654671 0.69 ALDH1A1 (0.33) SLC1A2SLC1A3SLC1A1
SCHEMBL5286648 0.69 SLC1A2 (0.42) SLC1A2SLC1A3SLC1A1SLC7A5
SCHEMBL6070933 0.68
SCHEMBL7108725 0.68
SCHEMBL4364921 0.68 CHRM1 (0.32) SLC1A2SLC1A3SLC1A1CYP1A2
SCHEMBL28395438 0.67 SLC1A2 (0.52) SLC1A2SLC1A3SLC1A1CTSCSLC7A5
SCHEMBL25660318 0.67 SLC1A2 (0.41) SLC1A2SLC1A3SLC1A1CTSCSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851411-B2 Herbicides; plant safening agents BASF SE (DE) 2010-12-14 US disclosed
EP-1458675-B1 ALPHA-CYANOACRYLATES BASF SE (DE) 2010-02-24 EP disclosed
US-20050009706-A1 Alpha-cyanoacrylates BASF SE (DE) 2005-01-13 US disclosed
EP-1458675-A1 ALPHA-CYANOACRYLATES BASF AKTIENGESELLSCHAFT (DE) 2004-09-22 EP disclosed
WO-2003051824-A1 α-CYANOACRYLATES BASF AKTIENGESELLSCHAFT (DE) 2003-06-26 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-20050009706-A1 Alpha-cyanoacrylates CBR1, CBR3, CROCC SLC1A2 2767/4885SLC1A3 2808/4885SLC1A1 1938/4885

“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.