SCHEMBL4992345

SCHEMBL4992345

CCC(CCCc1ccc(OC)cc1OC)CC(CN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 3/20 0.39
CNR2 P34972 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
CAPN1 P07384 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL4986869 0.93 MEN1 (0.44) MEN1KMT2ALMNAMAPTDPP7
SCHEMBL4987476 0.91 MTNR1A (0.47) MEN1KMT2AMTNR1AMTNR1BCAPN1
SCHEMBL4986704 0.87 CYP1A2 (0.49) MEN1KMT2AMTNR1AMTNR1B
SCHEMBL4986432 0.87 MEN1 (0.44) MEN1KMT2AMTNR1AMTNR1BCAPN1
SCHEMBL4990584 0.86 PPARA (0.43) MEN1KMT2AADRA2AADRA1AHSD17B10
SCHEMBL4987859 0.86 STING1 (0.36) LMNAADRA2A
SCHEMBL4989831 0.86 TSHR (0.43) MEN1KMT2ALMNAMAPTMTNR1A
SCHEMBL4984028 0.85 TSHR (0.44) MTNR1AMTNR1B
SCHEMBL4994513 0.84 ADRA1A (0.49) MEN1KMT2AMTNR1AMTNR1BADRA2A
SCHEMBL4987860 0.83 AOC3 (0.40) MEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP claimed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO 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 MEN1 4182/4885KMT2A 1674/4885CNR1 776/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A MEN1 4290/4885KMT2A 1763/4885CNR1 640/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A MEN1 4287/4885KMT2A 1678/4885CNR1 773/4885

“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.