SCHEMBL1012879

SCHEMBL1012879

Cc1nc(O)cc(-c2ccc(C(C)(C)C)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NR2F2 P24468 1/20 0.41
LMNA P02545 3/20 0.41
TYR P14679 1/20 0.41
CXCL12 P48061 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
DHODH Q02127 1/20 0.38
TSHR P16473 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
SCHEMBL18216910 0.87 ALDH1A1 (0.47) KIF11ALDH1A1NPC1RAB9AMAPT
SCHEMBL10967059 0.82 MAPT (0.46) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL1013065 0.79 ALDH1A1 (0.42) KIF11ALDH1A1NPC1RAB9AMAPT
SCHEMBL5420904 0.79 ADORA3 (0.43) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL4297486 0.78 KMT2A (0.51) ALDH1A1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL9013563 0.76 DYRK1A (0.50) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL22712482 0.74 RAB9A (0.58) KIF11ALDH1A1NPC1RAB9AMAPT
SCHEMBL30081031 0.74 TRPV1 (0.54) KIF11ALDH1A1NPC1RAB9AMAPT
SCHEMBL1011710 0.74 FAAH (0.48) KIF11ALDH1A1NPC1RAB9AMAPT
SCHEMBL12858518 0.72 LMNA (0.50) KIF11ALDH1A1NPC1RAB9AMAPT

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 14 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
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 KIF11 2440/4885ALDH1A1 3105/4885NPC1 2387/4885
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 KIF11 2210/4885ALDH1A1 3238/4885NPC1 2982/4885
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 KIF11 2210/4885ALDH1A1 3238/4885NPC1 2982/4885

“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.