SCHEMBL4987476

SCHEMBL4987476

CCC(CCCc1cc(OC)ccc1OC)CC(CN)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
ADRA1A P35348 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HSD17B10 Q99714 1/20 0.45
CAPN1 P07384 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
AOC3 Q16853 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
ADRA2A P08913 1/20 0.40

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
SCHEMBL4994513 0.93 ADRA1A (0.49) MTNR1AMTNR1BADRA1ATAAR1HSD17B10
SCHEMBL4992345 0.91 MEN1 (0.41) MTNR1AMTNR1BADRA1AHSD17B10CAPN1
SCHEMBL4986704 0.87 CYP1A2 (0.49) MTNR1AMTNR1BPPARDPPARAMEN1
SCHEMBL4990105 0.87 MTNR1B (0.49) MTNR1AMTNR1BADRA1ATAAR1HSD17B10
SCHEMBL4986395 0.86 HSD17B10 (0.49) ADRA1ATAAR1HSD17B10PPARDPPARA
SCHEMBL4986083 0.86 PPARG (0.44) MTNR1AMTNR1BHSD17B10PPARDPPARA
SCHEMBL4984028 0.85 TSHR (0.44) MTNR1AMTNR1BTAAR1PPARDPPARA
SCHEMBL4986869 0.84 MEN1 (0.44) ADRA1AHSD17B10MEN1KMT2AADRA2A
SCHEMBL4987859 0.84 STING1 (0.36) PPARDPPARAADRA2A
SCHEMBL4987860 0.83 AOC3 (0.40) TAAR1PPARDPPARAAOC3MEN1

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 MTNR1A 1012/4885MTNR1B 795/4885ADRA1A 86/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A MTNR1A 967/4885MTNR1B 836/4885ADRA1A 89/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A MTNR1A 934/4885MTNR1B 744/4885ADRA1A 85/4885

“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.