SCHEMBL4464210

SCHEMBL4464210

CC(C)(C)c1ccc2cc(C(=O)O)ncc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 5/20 0.42
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRA6 Q16445 1/20 0.40
ABL1 P00519 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
SRD5A2 P31213 1/20 0.39
ASPH Q12797 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM8 Q8N371 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR4A2 P43354 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
SCHEMBL3989058 0.86 XDH (0.46) CCR9ABL1SMN1; SMN2TDP1KDM4E
SCHEMBL1676343 0.82 XDH (0.45) CCR9ABL1SMN1; SMN2KDM4EMAPT
SCHEMBL11888294 0.78 CYP2A6 (0.46) ABL1TDP1ASPHKDM4EKDM8
SCHEMBL21200187 0.76 MEN1 (0.43) ABL1ASPHKDM4EKDM8MAPT
SCHEMBL3203433 0.75 P4HTM (0.53) SMN1; SMN2TDP1SRD5A2KDM4EMAPT
SCHEMBL263895 0.75 MGAM (0.51) TDP1SRD5A2KDM4EMAPTL3MBTL1
SCHEMBL1203053 0.75 KDM4E (0.57) ABL1SMN1; SMN2ASPHKDM4EKDM8
SCHEMBL3720560 0.75 KDM4E (0.56) ABL1SMN1; SMN2ASPHKDM4EKDM8
SCHEMBL21063894 0.75 TPMT (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12035783 0.75 KDM4E (0.49) ABL1TDP1ASPHKDM4EKDM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553848-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-30 US disclosed
EP-1725529-A1 BIS BICYCLIC AMIDES AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS OF INFLAMMATORY AND NEUROPATIC PAIN Amgen Inc. (US) 2006-11-29 EP disclosed
WO-2005070885-A1 BIS BICYCLIC AMIDES AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS OF INFLAMMATORY AND NEUROPATIC PAIN AMGEN INC. (US) 2005-08-04 WO disclosed
US-20050165046-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-07-28 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 (1 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-20050165046-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 CCR9 1062/4885GABRA1 406/4885GABRG2 306/4885

“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.