SCHEMBL4991444

SCHEMBL4991444

CC(CC(CN)C(=O)O)C(C)c1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.49
HIF1A Q16665 4/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ADRB1 P08588 2/20 0.42
ADRA1A P35348 2/20 0.42
MIF P14174 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2B P41595 1/20 0.42
SLC22A1 O15245 1/20 0.39
OPRM1 P35372 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
GRM2 Q14416 1/20 0.37
GRM3 Q14832 1/20 0.37
ADRB2 P07550 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRB3 P13945 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL4988188 0.86 ACP3 (0.39) AKR1C3AKR1C2GRM2GRM3
SCHEMBL4981481 0.86 KYNU (0.51) KYNUHIF1ALMNAKDM4EADRB1
SCHEMBL4992465 0.85 FOLH1 (0.40) KYNUHIF1ALMNAKDM4EADRB1
SCHEMBL4983872 0.85 MEN1 (0.43) ADRB1ADRB2ADRB3
SCHEMBL4991536 0.85 SLC6A2 (0.42)
SCHEMBL27665730 0.83 KYNU (0.67) KYNUHIF1ALMNAKDM4EADRB1
SCHEMBL4986586 0.83 L3MBTL1 (0.48) ADRA1AOPRM1AKR1C3AKR1C2HTR1A
SCHEMBL4987716 0.82 TAAR1 (0.41) HIF1AKDM4ETSHRNFKB1
SCHEMBL4986491 0.82 TDP1 (0.51) HIF1ALMNAKDM4EADRB1ADRA1A
SCHEMBL4989966 0.82 PNMT (0.51) KDM4EAKR1C3AKR1C2

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 KYNU 2464/4885HIF1A 622/4885LMNA 2822/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A KYNU 1506/4885HIF1A 702/4885LMNA 2247/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A KYNU 2104/4885HIF1A 714/4885LMNA 2797/4885

“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.