SCHEMBL6853465

SCHEMBL6853465

CCOC(=O)C(Cc1c(C)[nH]c2ccccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.52
SCN9A Q15858 1/20 0.51
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.46
CTSL P07711 4/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
PABPC1 P11940 1/20 0.43
ALOX15 P16050 1/20 0.43
SSTR3 P32745 1/20 0.42

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
SCHEMBL14164211 0.92 TACR1 (0.52) TACR1SCN9AMAPTSMN1; SMN2TP53
SCHEMBL8530675 0.89 ACE (0.52) TACR1SCN9AMAPTSMN1; SMN2TP53
SCHEMBL28676764 0.89 ACE (0.52) TACR1SCN9AMAPTSMN1; SMN2TP53
SCHEMBL26996502 0.84 MAPT (0.48) TACR1MAPTSMN1; SMN2TP53CTSL
SCHEMBL6854583 0.82 MAPT (0.46) TACR1MAPTSMN1; SMN2TP53CTSL
SCHEMBL23127318 0.80 ATM (0.56) TACR1MAPTCTSLCTSSCTSK
SCHEMBL17949554 0.80 TACR1 (0.77) TACR1SCN9AMAPTSMN1; SMN2TP53
SCHEMBL28556906 0.80 ATM (0.56) TACR1MAPTCTSLCTSSCTSK
SCHEMBL31236325 0.80 TACR1 (0.77) TACR1SCN9AMAPTSMN1; SMN2TP53
SCHEMBL31671078 0.80 MDM4 (0.46) TACR1MAPTSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 WO 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 (2 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 TACR1 4676/4885SCN9A 2367/4885MAPT 3336/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 TACR1 4676/4885SCN9A 2367/4885MAPT 3336/4885

“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.