SCHEMBL2648922

SCHEMBL2648922

C[Si](C)(C)CCOCn1ncnc1CO

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.41
HTT P42858 1/20 0.32
DGAT1 O75907 2/20 0.32
NPC1 O15118 1/20 0.30

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
SCHEMBL19332396 0.78 F2RL1 (0.42) F2RL1DGAT1NPC1
SCHEMBL23337421 0.78 F2RL1 (0.40) F2RL1DGAT1
SCHEMBL24320461 0.76 F2RL1 (0.38) F2RL1DGAT1
SCHEMBL14298916 0.76 F2RL1 (0.42) F2RL1HTTDGAT1NPC1
SCHEMBL30605723 0.74 F2RL1 (0.38) F2RL1DGAT1
SCHEMBL3174588 0.74 F2RL1 (0.40) F2RL1DGAT1
Potassium Ion SCHEMBL2147280 0.74 F2RL1 (0.41) F2RL1DGAT1NPC1
SCHEMBL13871296 0.73 F2RL1 (0.35) F2RL1DGAT1NPC1
SCHEMBL22899580 0.73 ALDH1A1 (0.31)
SCHEMBL2647731 0.72 DGAT1 (0.36) HTTDGAT1NPC1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116888112-A Lactams as CBL-B inhibitors 基因泰克公司 2023-10-13 CN disclosed
US-7659281-B2 HMG-CoA reductase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-09 US disclosed
US-20070249583-A1 HMG-CoA reductase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
EP-1430055-B1 7-TERT-BUTYL-3-(2-FLUOROPHENYL)-6-(2H-¬1,2,4|TRIAZOL-3-YLMETHOXY)-¬1,2,4|TRIAZOLO¬4,3-B|PYRIDAZINE FOR THE TREATMENT OF ANXIETY AND CONVULSIONS MERCK SHARP & DOHME (GB) 2006-07-12 EP disclosed
US-7015224-B2 7-Tert-butyl-3-(2-fluorophenyl)-6-(2H-(1,2,4)triazol-3-ylmethoxy)-(1,2,4)triazolo (4,3b) pyridazine for the treatment of anxiety and convulsions MERCK SHARP & DOHME LTD. 2006-03-21 US disclosed
US-20040242586-A1 7-Tert-butyl-3-(2-fluoropenyl)-6-(2h(1,2,4)triazol-3-ylmethoxy)-(1,2,4)triazolo 4,3b)pyridazine for the treatment of anxiety and convulsions MERCK SHARP & DOHME LTD. (GB) 2004-12-02 US disclosed
EP-1430055-A1 7-TERT-BUTYL-3-(2-FLUOROPHENYL)-6-(2H-[1,2,4]TRIAZOL-3-YLMETHOXY)-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE FOR THE TREATMENT OF ANXIETY AND CONVULSIONS MERCK SHARP & DOHME LTD. (GB) 2004-06-23 EP disclosed
EP-0915875-B1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-04-09 EP disclosed
WO-2003024968-A1 7-TERT-BUTYL-3-(2-FLUOROPHENYL)-6-(2H-(1,2,4)TRIAZOL-3-YLMETHOXY)-(1,2,4)TRIAZOLO (4,3-B) PYRIDAZINE FOR THE TREATMENT OF ANXIETY AND CONVULSIONS MERCK SHARP & DOHME LIMITED (GB) 2003-03-27 WO disclosed
US-6444666-B1 SUCH AS ALZHEIMER'S DISEASE; SUBSTITUTED 1,2,4-TRIAZOLO(4,3-B) PYRIDAZINE DERIVATIVES ARE LIGANDS FOR GABA RECEPTORS; CONVULSANT ACTIVITY IS REDUCED OR ELIMINATED MERCK SHARP & DOHME LTD. (GB) 2002-09-03 US disclosed
US-6310203-B1 Precursor compounds to substituted 1,2,4-triazolo[3,4,-a]phathalazine GABA alpha 5 ligands MERCK SHARPE & DOHME LIMITED (GB) 2001-10-30 US disclosed
US-6297235-B1 ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. (GB) 2001-10-02 US disclosed
US-6255305-B1 PSYCHOLOGICAL DISORDERS MERCK SHARP & DOHME LIMITED (GB) 2001-07-03 US disclosed
EP-1107967-A2 TRIAZOLOPYRIDAZINE DERIVATIVES FOR TREATING ANXIETY AND ENHANCING COGNITION MERCK SHARP & DOHME LTD. (GB) 2001-06-20 EP disclosed
US-6200975-B1 FOR COGNITION ENHANCEMENT THERAPY MERCK SHARP & DOHME LIMITED (GB) 2001-03-13 US disclosed
EP-0986562-A1 SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME LTD. (GB) 2000-03-22 EP disclosed
WO-2000012505-A2 TRIAZOLOPYRIDAZINE DERIVATIVES FOR TREATING ANXIETY AND ENHANCING COGNITION MERCK SHARP & DOHME LIMITED (GB) 2000-03-09 WO disclosed
EP-0915875-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1999-05-19 EP disclosed
WO-1998050385-A1 SUBSTITUTED 1,2,4-TRIAZOLO[3,4-a]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1998-11-12 WO disclosed
WO-1998004559-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1998-02-05 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 (2 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-20070249583-A1 HMG-CoA reductase inhibitors HMGCR, LDLR, PCSK9 F2RL1 1135/4885HTT 1209/4885DGAT1 717/4885
US-20040242586-A1 7-Tert-butyl-3-(2-fluoropenyl)-6-(2h(1,2,4)triazol-3-ylmethoxy)-(1,2,4)triazolo 4,3b)pyridazine for the treatment of anxiety and convulsions GABRA3, GABRA4, GABBR1 F2RL1 507/4885HTT 2925/4885DGAT1 4383/4885

“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.