SCHEMBL1013062

SCHEMBL1013062

C1=C(c2cc(Nc3ccc4cccnc4c3)ncn2)CCNC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.54
▸ HTR6 P50406 7/20 0.42
▸ HTR1A P08908 3/20 0.41
▸ DRD2 P14416 3/20 0.41
▸ HTR2A P28223 3/20 0.41
▸ HTR7 P34969 3/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ MET P08581 2/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ CDK9 P50750 2/20 0.36
▸ CCNT1 O60563 1/20 0.35
▸ EHMT2 Q96KQ7 1/20 0.35
▸ EHMT1 Q9H9B1 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34

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 0.79 TRPV1 (0.55) TRPV1HTR6EHMT2EHMT1
SCHEMBL15534340 0.74 HTR6 (0.51) HTR6HTR1ADRD2HTR2AHTR7
Hydrochloric Acid SCHEMBL15548697 0.73 HTR6 (0.53) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL1011898 0.72 TRPV1 (0.51) TRPV1PDE10A
SCHEMBL1013567 0.71 TRPV1 (0.58) TRPV1CYP1A2CYP3A4DDB1CRBN
SCHEMBL14108441 0.71 TRPV1 (0.61) TRPV1CYP1A2
SCHEMBL1012912 0.71 TRPV1 (0.58) TRPV1CYP1A2DDB1CRBN
SCHEMBL13868105 0.70 TRPV1 (1.00) TRPV1ABL1BCR
SCHEMBL15486423 0.69 USP2 (0.62) CYP1A2CYP3A4CDK9CCNT1EHMT2
SCHEMBL4832759 0.68 TRPV1 (0.87) TRPV1ABL1BCR

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 1/4885HTR6 140/4885HTR1A 91/4885
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 TRPV1 1/4885HTR6 133/4885HTR1A 117/4885
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 TRPV1 1/4885HTR6 133/4885HTR1A 117/4885

“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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