Sugi Predict

Sugi Predict / Compounds / SCHEMBL3999934

SCHEMBL3999934

SCHEMBL3999934

CC(C)C[C@@H](C)CC[C@H](N)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 2/20 0.47
▸ CACNB3 P54284 1/20 0.47
▸ CACNA1C Q13936 1/20 0.47
▸ PGR P06401 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ CACNA2D2 Q9NY47 1/20 0.47
▸ SLC7A5 Q01650 1/20 0.43
▸ BHMT Q93088 2/20 0.40
▸ GABRP O00591 2/20 0.39
▸ GABRD O14764 2/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ GABRB1 P18505 2/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ GABRA3 P34903 2/20 0.39
▸ GABRA2 P47869 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ GABRA4 P48169 2/20 0.39

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
SCHEMBL3996775 1.00 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3997717 1.00 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3997752 0.86 SLC1A3 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4001575 0.86 SLC1A3 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3997629 0.86 SLC1A3 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3967393 0.84 SLC1A3 (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3967379 0.84 SLC1A3 (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3962295 0.84 SLC1A3 (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL288992 0.83 SLC1A3 (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4411760 0.83 SLC1A3 (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A

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-7517909-B2 Amino acids with affinity for the α2δ-protein PFIZER INC (US) 2009-04-14 — — US disclosed
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein BRAMSON CANDACE 2006-11-02 — — US disclosed
US-7112610-B2 Methods for using amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2006-09-26 — — US disclosed
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein BARTA NANCY S 2006-07-13 — — US disclosed
US-7064147-B2 Amino acids with affinity for the α-2-delta-protein WARNER-LAMBERT COMPANY (US) 2006-06-20 — — US disclosed
US-20050124669-A1 Methods for using amino acids with affinity for the alpha2delta-protein BRAMSON CANDACE (US) 2005-06-09 — — 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-20050124669-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CACNA2D1 47/4885CACNB3 31/4885CACNA1C 27/4885
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, SCN1A CACNA2D1 67/4885CACNB3 51/4885CACNA1C 28/4885
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CACNA2D1 47/4885CACNB3 31/4885CACNA1C 27/4885

“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.