Sugi Predict

Sugi Predict / Compounds / SCHEMBL4987985

SCHEMBL4987985

SCHEMBL4987985

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BHMT Q93088 1/20 0.39
▸ CACNA2D1 P54289 2/20 0.37
▸ CACNB3 P54284 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ CACNA2D2 Q9NY47 1/20 0.37
▸ SLC1A3 P43003 2/20 0.34
▸ SLC1A2 P43004 2/20 0.34
▸ SLC1A1 P43005 2/20 0.34
▸ GABRP O00591 2/20 0.33
▸ GABRD O14764 2/20 0.33
▸ GABRA1 P14867 2/20 0.33
▸ GABRB1 P18505 2/20 0.33
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRA3 P34903 2/20 0.33
▸ GABRA2 P47869 2/20 0.33

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
SCHEMBL4989613 0.89 CACNA2D1 (0.43) BHMTCACNA2D1CACNB3CACNA1CPGR
SCHEMBL4990003 0.87 BHMT (0.39) BHMTCACNA2D1CACNB3CACNA1CPGR
SCHEMBL4993497 0.86 SLC1A3 (0.39) BHMTCACNA2D1CACNB3CACNA1CPGR
SCHEMBL4994657 0.84 SLC1A2 (0.40) BHMTSLC1A3SLC1A2SLC1A1
SCHEMBL5374127 0.83 SLC22A6 (0.38) BHMTCACNA2D1CACNB3CACNA1CPGR
SCHEMBL4986054 0.83 CACNA2D1 (0.36) BHMTCACNA2D1CACNB3CACNA1CPGR
SCHEMBL5187938 0.82 CACNA2D1 (0.38) BHMTCACNA2D1CACNB3CACNA1CPGR
SCHEMBL4991054 0.82 CACNA2D1 (0.38) BHMTCACNA2D1CACNB3CACNA1CPGR
SCHEMBL4993727 0.82 CACNA2D1 (0.38) BHMTCACNA2D1CACNB3CACNA1CPGR
SCHEMBL4981462 0.82 ANPEP (0.36) BHMTCACNA2D1CACNB3CACNA1CPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 — — US claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 — — US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 — — US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 — — US disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 — — US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 — — 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 (3 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 BHMT 3560/4885CACNA2D1 68/4885CACNB3 54/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A BHMT 2681/4885CACNA2D1 79/4885CACNB3 51/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A BHMT 3423/4885CACNA2D1 73/4885CACNB3 48/4885

“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.