SCHEMBL6848342

SCHEMBL6848342

CC1(C)OC(C)(C)c2cc(N)ccc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CASP1 P29466 3/20 0.34
CYP3A4 P08684 4/20 0.32
TSHR P16473 2/20 0.32
PDE10A Q9Y233 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
BACE1 P56817 2/20 0.32
PDK2 Q15119 2/20 0.32
MAPT P10636 2/20 0.31
RECQL P46063 1/20 0.31
KDM4E B2RXH2 1/20 0.31
APAF1 O14727 1/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FLT3 P36888 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL15427711 0.75 PTK2 (0.44) ALDH1A1CYP3A4TSHRMEN1KMT2A
SCHEMBL24701899 0.74 TDP1 (0.39) ALDH1A1CYP3A4MEN1KMT2APDK2
SCHEMBL807467 0.73 ALDH1A1 (0.40) ALDH1A1CASP1CYP3A4TSHRPDE10A
SCHEMBL14439097 0.73 ALDH1A1 (0.40) ALDH1A1CASP1CYP3A4TSHRPDE10A
SCHEMBL16812209 0.70 ALDH1A1 (0.37) ALDH1A1CASP1CYP3A4TSHRPDE10A
SCHEMBL6742481 0.70 MEN1 (0.54) ALDH1A1CASP1CYP3A4TSHRMEN1
SCHEMBL17528668 0.69 PDK2 (0.42) ALDH1A1CASP1CYP3A4TSHRPDE10A
SCHEMBL16905573 0.68 PGR (0.38) ALDH1A1BACE1PDK2
SCHEMBL30648685 0.68 CA9 (0.38) ALDH1A1MEN1KMT2ABACE1MAPT
SCHEMBL26640593 0.68 CA9 (0.38) ALDH1A1MEN1KMT2ABACE1MAPT

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
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
EP-1228055-A1 DIHYDROAMINOBENZO[B]- AND [C]FURANS AS RETINOID-LIKE AGENTS Allergan Sales, Inc. (US) 2002-08-07 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO disclosed
WO-2001012618-A1 DIHYDROAMINOBENZO[B]- AND [C]FURANS AS RETINOID-LIKE AGENTS ALLERGAN SALES, INC. (US) 2001-02-22 WO disclosed
US-6093838-A FOR TREATING SKIN-RELATED DISEASES, INCLUDING ACTINIC KERATOSES, ARSENIC KERATOSES, ECZEMA ALLERGAN SALES, INC. (US) 2000-07-25 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 (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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA ALDH1A1 3632/4885CASP1 2578/4885CYP3A4 4586/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA ALDH1A1 3632/4885CASP1 2578/4885CYP3A4 4586/4885

“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.