SCHEMBL1011898

SCHEMBL1011898

CC(C)(C)OC(=O)N1CC=C(c2cc(Nc3ccc4cccnc4c3)ncn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.51
▸ PDE10A Q9Y233 2/20 0.50
▸ GRM1 Q13255 10/20 0.48
▸ GRM5 P41594 10/20 0.48
▸ NAMPT P43490 1/20 0.44
▸ WNT3A P56704 1/20 0.44
▸ KIT P10721 1/20 0.43

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
SCHEMBL1015927 0.81 TRPV1 (0.55) TRPV1
SCHEMBL29611770 0.79 GRM1 (0.49) GRM1GRM5NAMPTWNT3AKIT
SCHEMBL15492271 0.77 CDK9 (0.50) PDE10AGRM1GRM5
SCHEMBL13994070 0.76 CCNT1 (0.51) PDE10AGRM1GRM5NAMPTKIT
SCHEMBL25723376 0.75 GRM5 (0.52) PDE10AGRM1GRM5
SCHEMBL19355528 0.75 GRM1 (0.53) GRM1GRM5NAMPTWNT3AKIT
SCHEMBL6621771 0.74 PDE10A (0.60) PDE10AGRM1GRM5NAMPT
SCHEMBL15001502 0.74 GRM1 (0.53) GRM1GRM5NAMPTWNT3AKIT
SCHEMBL14500249 0.74 CCNT1 (0.57) PDE10AGRM1GRM5
SCHEMBL15486538 0.74 CCNT1 (0.48) GRM1GRM5

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 TRPV1 1/4885PDE10A 1638/4885GRM1 352/4885
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 TRPV1 1/4885PDE10A 1521/4885GRM1 442/4885
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 TRPV1 1/4885PDE10A 1521/4885GRM1 442/4885

“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.

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