SCHEMBL2647079

SCHEMBL2647079

C[Si](C)(C)CCOCn1nncc1CO

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.31
HSD11B1 P28845 1/20 0.31
F2RL1 P55085 1/20 0.30
MGMT P16455 1/20 0.30
PTGS2 P35354 1/20 0.30
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
SCHEMBL17239504 0.82 DGAT1 (0.31) DGAT1
SCHEMBL17239478 0.81 MGMT (0.31) DGAT1MGMT
SCHEMBL19953625 0.78 DGAT1 (0.32) DGAT1NPC1
SCHEMBL23306274 0.78 DGAT1 (0.37) DGAT1
SCHEMBL17239574 0.77 PTGS2 (0.33) PTGS2
SCHEMBL17253192 0.77 PTGS2 (0.30) PTGS2
SCHEMBL13871296 0.76 F2RL1 (0.35) DGAT1F2RL1NPC1
SCHEMBL4152078 0.76 KLKB1 (0.37) DGAT1F2RL1PTGS2NPC1
SCHEMBL25109623 0.75 DGAT1 (0.34) DGAT1F2RL1NPC1
SCHEMBL25413906 0.74 DGAT1 (0.33) DGAT1NPC1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3140298-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS Pfizer Inc. (US) 2017-03-15 EP disclosed
US-9328096-B2 Tropomyosin-related kinase inhibitors PFIZER INC. (US) 2016-05-03 US disclosed
US-9328096-B2 Tropomyosin-related kinase inhibitors PFIZER INC. (US) 2016-05-03 US disclosed
WO-2015170218-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER INC. (US) 2015-11-12 WO disclosed
US-20150322043-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER (US) 2015-11-12 US disclosed
US-20150322043-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER (US) 2015-11-12 US disclosed
EP-0915875-B1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-04-09 EP disclosed
US-6534505-B2 Cognition activators, treatment of Alzheimer's disease MERCK & CO., INC. 2003-03-18 US disclosed
US-6448249-B1 Substituted 1,2,4-triazolo[3,4-A]phthalazine derivatives as GABAα5 ligands MERCK SHARP & DOHME LTD. (GB) 2002-09-10 US disclosed
US-6440967-B1 Combination of a GABAA alpha 5 inverse agonist and COX-2 inhibitor, NSAID, estrogen or vitamin E MERCK & CO., INC. 2002-08-27 US disclosed
EP-0986562-B1 SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME (GB) 2002-08-07 EP disclosed
US-20010049439-A1 Therapeutic polymorphs of a GABA-A alpha-5 inverse agonist and pamoate formulations of the same MERCK & CO., INC. 2001-12-06 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-6255305-B1 PSYCHOLOGICAL DISORDERS MERCK SHARP & DOHME LIMITED (GB) 2001-07-03 US disclosed
US-6200975-B1 FOR COGNITION ENHANCEMENT THERAPY MERCK SHARP & DOHME LIMITED (GB) 2001-03-13 US disclosed
EP-0915875-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1999-05-19 EP 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 (1 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-20150322043-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS TPM3, MUSK, TPM4 DGAT1 3635/4885HSD11B1 3941/4885F2RL1 2221/4885

“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.