SCHEMBL4985976

SCHEMBL4985976

COc1ccc(OC)c(CC(C)CC(CN)C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.55
HSD17B10 Q99714 1/20 0.51
ADRA1A P35348 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
GAA P10253 1/20 0.45
ADRA2A P08913 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
IDO1 P14902 2/20 0.43
TSPO P30536 1/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL4994145 0.90 CYP1A2 (0.44) HTR2AHSD17B10ADRA1ACYP1A2CYP2C9
SCHEMBL4990981 0.88 ADRA1A (0.51) HTR2AHSD17B10ADRA1ATAAR1CYP1A2
SCHEMBL4990105 0.86 MTNR1B (0.49) HTR2AHSD17B10ADRA1ATAAR1CYP1A2
SCHEMBL4986395 0.85 HSD17B10 (0.49) HTR2AHSD17B10ADRA1ATAAR1CYP1A2
SCHEMBL4992253 0.85 HTT (0.39) CYP1A2MEN1KMT2A
SCHEMBL4989842 0.84 CYP1A2 (0.48) HTR2AHSD17B10CYP1A2MEN1KMT2A
SCHEMBL4981494 0.83 CYP1A2 (0.46) HSD17B10TAAR1CYP1A2CYP2C9GAA
SCHEMBL4989329 0.83 PPARG (0.45) HSD17B10MEN1KMT2AMTNR1AMTNR1B
SCHEMBL4993139 0.81 PPARA (0.43)
SCHEMBL4991111 0.81 KDM4E (0.41) HSD17B10TAAR1GAAMEN1KMT2A

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 HTR2A 188/4885HSD17B10 3555/4885ADRA1A 86/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A HTR2A 258/4885HSD17B10 3359/4885ADRA1A 89/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A HTR2A 149/4885HSD17B10 3509/4885ADRA1A 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.