SCHEMBL1013229

SCHEMBL1013229

CC(C)(C)c1ccc(-c2cc(Nc3ccccc3)ncn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.65
CYP1A2 P05177 6/20 0.60
CLK4 Q9HAZ1 5/20 0.60
CYP2C9 P11712 3/20 0.60
FAAH O00519 1/20 0.59
CYP2C19 P33261 5/20 0.57
CYP2D6 P10635 5/20 0.57
ALDH1A1 P00352 4/20 0.57
TP53 P04637 4/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
USP2 O75604 3/20 0.57
MAPT P10636 2/20 0.57
CYP3A4 P08684 3/20 0.56
MAPK1 P28482 3/20 0.56
TSHR P16473 2/20 0.56
ABL1 P00519 1/20 0.56
BCR P11274 1/20 0.56
GLA P06280 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL5923900 0.94 TRPV1 (0.65) TRPV1CYP1A2CLK4CYP2C9FAAH
SCHEMBL26424222 0.86 CYP1A2 (0.62) TRPV1CYP1A2CLK4CYP2C9FAAH
SCHEMBL5752589 0.86 TRPV1 (0.63) TRPV1CYP1A2CLK4CYP2C9FAAH
SCHEMBL1012574 0.86 ABL1 (0.75) TRPV1CYP1A2CLK4CYP2C9FAAH
SCHEMBL2305280 0.85 TP53 (0.74) CYP1A2CLK4CYP2C9CYP2C19CYP2D6
SCHEMBL5752852 0.84 MEN1 (0.62) TRPV1MEN1KMT2AABL1BCR
SCHEMBL3910196 0.83 MEN1 (0.60) TRPV1TP53MEN1KMT2AMAPT
SCHEMBL13868152 0.82 TRPV1 (0.64) TRPV1CYP1A2CLK4CYP2C9FAAH
SCHEMBL5753921 0.81 TRPV1 (0.57) TRPV1CYP1A2CLK4CYP2C9FAAH
SCHEMBL5753334 0.80 TRPV1 (0.56) TRPV1CYP1A2CLK4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053088-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-05-30 US claimed
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 claimed
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-02-26 US claimed
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 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-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US 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-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 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 TRPV1 1/4885CYP1A2 2099/4885CLK4 4798/4885
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 TRPV1 1/4885CYP1A2 2153/4885CLK4 4788/4885
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 TRPV1 1/4885CYP1A2 2153/4885CLK4 4788/4885

“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.