SCHEMBL4994145

SCHEMBL4994145

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
ADRA2A P08913 1/20 0.42
ADRA1A P35348 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR2A P28223 1/20 0.42
TSHR P16473 1/20 0.41
APLNR P35414 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 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
SCHEMBL4985976 0.90 HTR2A (0.55) CYP1A2CYP2C9ADRA2AADRA1AHSD17B10
SCHEMBL4985937 0.88 MEN1 (0.48) ADRA2AADRA1AHSD17B10APLNRKDM4E
SCHEMBL4992253 0.88 HTT (0.39) CYP1A2TSHRMEN1KMT2A
SCHEMBL4986432 0.86 MEN1 (0.44) ADRA2AADRA1AHSD17B10APLNRKDM4E
SCHEMBL4990584 0.85 PPARA (0.43) CYP1A2CYP2C9ADRA2AADRA1AHSD17B10
SCHEMBL4989842 0.84 CYP1A2 (0.48) CYP1A2HSD17B10HTR2AMEN1KMT2A
SCHEMBL4989768 0.83 PTPN1 (0.39) ADRA2AADRA1A
SCHEMBL4981494 0.83 CYP1A2 (0.46) CYP1A2CYP2C9HSD17B10TSHRALDH1A1
SCHEMBL4986468 0.83 AKR1C3 (0.42) HSD17B10TSHRKDM4EALDH1A1MEN1
SCHEMBL4983530 0.81 PPARA (0.41)

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 CYP1A2 1487/4885CYP2C9 2603/4885ADRA2A 20/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CYP1A2 1628/4885CYP2C9 2863/4885ADRA2A 20/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CYP1A2 1464/4885CYP2C9 2405/4885ADRA2A 11/4885

“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.