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Sugi Predict / Compounds / SCHEMBL4990974

SCHEMBL4990974

SCHEMBL4990974

CCC(CC(CN)C(=O)O)c1cc(C)cc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.43
▸ AKR1C2 P52895 2/20 0.43
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SLC1A3 P43003 2/20 0.37
▸ SLC1A2 P43004 2/20 0.37
▸ SLC1A1 P43005 2/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ CHRM1 P11229 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ TPMT P51580 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ ANPEP P15144 2/20 0.32
▸ ERAP2 Q6P179 1/20 0.32
▸ ERAP1 Q9NZ08 1/20 0.32

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
SCHEMBL4986183 0.86 FOLH1 (0.37) AKR1C3AKR1C2SLC1A3SLC1A2SLC1A1
SCHEMBL4992187 0.86 GRIK1 (0.40) AKR1C3AKR1C2SLC1A3SLC1A2SLC1A1
SCHEMBL4984216 0.85 TDP1 (0.41) AKR1C3AKR1C2GRM2GRM3TDP1
SCHEMBL4981794 0.84 AKR1C3 (0.35) AKR1C3AKR1C2SLC1A3SLC1A2SLC1A1
SCHEMBL4985057 0.84 SLC6A2 (0.38) AKR1C3AKR1C2HTTNPSR1SLC1A3
SCHEMBL4991024 0.84 GRN (0.38) AKR1C3AKR1C2SLC1A3SLC1A2SLC1A1
SCHEMBL4989650 0.82 PTGS2 (0.37) AKR1C3AKR1C2HTTNPSR1SLC1A3
SCHEMBL4992690 0.82 SMN1; SMN2 (0.42) AKR1C3AKR1C2SLC1A3SLC1A2SLC1A1
SCHEMBL4986341 0.82 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2GRIK1GRIK2
SCHEMBL4981511 0.81 AKR1C3 (0.47) AKR1C3AKR1C2RXRARXRB

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 AKR1C3 4710/4885AKR1C2 4233/4885HTT 1941/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A AKR1C3 4658/4885AKR1C2 4077/4885HTT 2001/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A AKR1C3 4657/4885AKR1C2 4126/4885HTT 2005/4885

“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.