SCHEMBL1011710

SCHEMBL1011710

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.48
TRPV1 Q8NER1 3/20 0.45
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
NR2F2 P24468 1/20 0.42
LMNA P02545 1/20 0.42
TYR P14679 1/20 0.42
KIF11 P52732 1/20 0.41
TDO2 P48775 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
DGAT1 O75907 1/20 0.39
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL13549565 0.87 TRPV1 (0.50) FAAHTRPV1ALDH1A1KMT2AKDM4E
SCHEMBL1013500 0.79 TRPV1 (0.45) FAAHTRPV1ALDH1A1KMT2ANPC1
SCHEMBL11785767 0.79 ASIC3 (0.59) FAAHTRPV1ALDH1A1KMT2AKDM4E
SCHEMBL25754733 0.76 FAAH (0.46) FAAHTRPV1ALDH1A1KMT2ANPC1
SCHEMBL19596282 0.76 KMO (0.49) FAAH
SCHEMBL3450556 0.75 ASIC3 (0.59) KMT2ANPC1RAB9AMEN1TDO2
SCHEMBL25243513 0.75 ALDH1A1 (0.43) FAAHTRPV1ALDH1A1KMT2AKDM4E
SCHEMBL30479919 0.75 ALDH1A1 (0.43) FAAHTRPV1ALDH1A1KMT2AKDM4E
SCHEMBL1012879 0.74 KIF11 (0.44) ALDH1A1KMT2AKDM4ENPC1RAB9A
Hydrogen Sulfide SCHEMBL27335921 0.73 ASIC3 (0.57) KMT2ANPC1RAB9AMEN1TDO2

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 13 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 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 FAAH 400/4885TRPV1 1/4885ALDH1A1 3105/4885
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 FAAH 396/4885TRPV1 1/4885ALDH1A1 3238/4885
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 FAAH 396/4885TRPV1 1/4885ALDH1A1 3238/4885

“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.