SCHEMBL4986950

SCHEMBL4986950

Cc1cccc(CCCC(C)CC(CN)C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
LNPEP Q9UIQ6 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ANPEP P15144 2/20 0.38
ERAP2 Q6P179 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL4990870 0.92 TAAR1 (0.46) GRIK1TAAR1LNPEPNPC1RAB9A
SCHEMBL4986205 0.89 ANPEP (0.46) GRIK1TAAR1ANPEPERAP2ERAP1
SCHEMBL4997611 0.87 ANPEP (0.41) GRIK1POLBKDM4EANPEPERAP2
SCHEMBL3996131 0.87 GRIK1 (0.58) GRIK1KMT2ALMNASMN1; SMN2ANPEP
SCHEMBL3998855 0.87 GRIK1 (0.58) GRIK1KMT2ALMNASMN1; SMN2ANPEP
SCHEMBL3998166 0.87 GRIK1 (0.58) GRIK1KMT2ALMNASMN1; SMN2ANPEP
SCHEMBL3999755 0.86 GRIK1 (0.44) GRIK1TAAR1KMT2AMEN1HTR2B
SCHEMBL3997631 0.86 GRIK1 (0.44) GRIK1TAAR1KMT2AMEN1HTR2B
SCHEMBL3994149 0.86 GRIK1 (0.44) GRIK1TAAR1KMT2AMEN1HTR2B
SCHEMBL4990196 0.86 HTR3E (0.45) GRIK1TAAR1KMT2ASMN1; SMN2MEN1

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 GRIK1 413/4885TAAR1 1437/4885LNPEP 2321/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GRIK1 304/4885TAAR1 1172/4885LNPEP 1678/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GRIK1 415/4885TAAR1 1489/4885LNPEP 2036/4885

“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.