SCHEMBL1012368

SCHEMBL1012368

C1=CCCC(C2=COC=C(Nc3cc(-c4ccccc4)ncn3)O2)=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.42
ALDH1A1 P00352 6/20 0.42
CYP2C19 P33261 5/20 0.42
USP2 O75604 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
TP53 P04637 3/20 0.42
MAPT P10636 2/20 0.40
CYP1A2 P05177 7/20 0.35
CLK4 Q9HAZ1 7/20 0.35
CYP3A4 P08684 5/20 0.35
HSD17B10 Q99714 2/20 0.35
HTR3A P46098 1/20 0.35
KCNH2 Q12809 1/20 0.35
BACE1 P56817 5/20 0.35
ASIC3 Q9UHC3 1/20 0.35
TSHR P16473 3/20 0.34
CYP2C9 P11712 2/20 0.34
ADORA2A P29274 1/20 0.34
LMNA P02545 2/20 0.33

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
SCHEMBL1011713 0.88 TRPV1 (0.46) CYP2D6ALDH1A1CYP2C19USP2MEN1
SCHEMBL4000656 0.78
SCHEMBL4000057 0.77 DRD2 (0.35)
SCHEMBL4003340 0.76 MAPK10 (0.41) MEN1KMT2AKCNH2
SCHEMBL19526639 0.75 ASIC3 (0.45) ALDH1A1CYP2C19MEN1KMT2ATP53
SCHEMBL1013535 0.75 TP53 (0.34) TP53MAPTLMNA
SCHEMBL4470661 0.74 MAP3K12 (0.31)
SCHEMBL3999919 0.74 MEN1 (0.31) CYP2D6ALDH1A1CYP2C19USP2MEN1
SCHEMBL1012787 0.74 TRPV1 (0.32)
SCHEMBL3998347 0.74 MAPKAPK2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542692-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC (US) 2011-01-05 EP claimed
US-7053088-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-05-30 US claimed
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-02-26 US claimed
EP-1542692-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC (US) 2011-01-05 EP disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 US disclosed
US-7053088-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-05-30 US disclosed
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-15 US disclosed
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-01 US disclosed
EP-1542692-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Amgen Inc. (US) 2005-06-22 EP disclosed
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-02-26 US disclosed
WO-2003099284-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC. (US) 2003-12-04 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 (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-20040038969-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 CYP2D6 2145/4885ALDH1A1 3105/4885CYP2C19 1377/4885
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 CYP2D6 2110/4885ALDH1A1 3238/4885CYP2C19 1311/4885
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 CYP2D6 2110/4885ALDH1A1 3238/4885CYP2C19 1311/4885

“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.