Sugi Predict

Sugi Predict / Compounds / SCHEMBL4990449

SCHEMBL4990449

SCHEMBL4990449

Cc1ccc(CCC(C)CC(CN)C(=O)O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PSMB8 P28062 1/20 0.34
▸ PSMB5 P28074 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ ANPEP P15144 1/20 0.33
▸ ERAP2 Q6P179 1/20 0.33
▸ ERAP1 Q9NZ08 1/20 0.33
▸ GRIK1 P39086 1/20 0.33
▸ GRIK2 Q13002 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALPL P05186 1/20 0.32
▸ CA9 Q16790 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
SCHEMBL4989630 0.92 MAPK1 (0.35) MAPK1NPC1RAB9AALDH1A1CYP2C19
SCHEMBL4989826 0.90 TAAR1 (0.46) MAPK1NPC1RAB9AALDH1A1CYP2C19
SCHEMBL4986890 0.86 PSMB5 (0.40) MAPK1NPC1RAB9AALDH1A1CYP2C19
SCHEMBL4989620 0.85 NPC1 (0.34) MAPK1NPC1RAB9APSMB8PSMB5
SCHEMBL4991268 0.84 ANPEP (0.33) ALDH1A1ANPEPERAP2ERAP1KDM4E
SCHEMBL4989916 0.84 TAAR1 (0.44) ALDH1A1TAAR1GRIK1KDM4E
SCHEMBL4987972 0.83 GRIK1 (0.31) GRIK1
SCHEMBL4986843 0.82 ANPEP (0.34) MAPK1SLC6A2SLC6A4ANPEPERAP2
SCHEMBL4993610 0.82 TAAR1 (0.44) MAPK1NPC1RAB9AALDH1A1CYP2C19
SCHEMBL4985219 0.81 ANPEP (0.45) POLBANPEPERAP2ERAP1GRIK1

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 MAPK1 2566/4885NPC1 3038/4885RAB9A 1165/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A MAPK1 2534/4885NPC1 3193/4885RAB9A 1424/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A MAPK1 2913/4885NPC1 3111/4885RAB9A 1183/4885

“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.