SCHEMBL4714957

SCHEMBL4714957

CC(c1cccc(CO)n1)N(CCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
CTSK P43235 3/20 0.35
CTSS P25774 1/20 0.35
AKT1 P31749 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
NPR3 P17342 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
BACE1 P56817 1/20 0.33
POLB P06746 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALOX5 P09917 1/20 0.32
MLYCD O95822 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL5524693 1.00 L3MBTL1 (0.35) L3MBTL1CTSKCTSSAKT1HTR2C
SCHEMBL5521342 0.89 TAAR1 (0.38) CTSKCTSSKMT2AMEN1BACE1
SCHEMBL4711021 0.89 TAAR1 (0.38) CTSKCTSSKMT2AMEN1BACE1
SCHEMBL5526174 0.87 L3MBTL1 (0.35) L3MBTL1CTSKCTSSHTR2CSLC6A4
SCHEMBL4716947 0.87 L3MBTL1 (0.35) L3MBTL1CTSKCTSSHTR2CSLC6A4
SCHEMBL5526177 0.80 L3MBTL1 (0.32) L3MBTL1CTSKCTSSAKT1HTR2C
SCHEMBL4714959 0.79 KCNH2 (0.41) L3MBTL1CTSSHTR2CSLC6A4KMT2A
SCHEMBL27658892 0.77 CTSK (0.38) CTSKCTSSNPR3KMT2AMEN1
SCHEMBL4715131 0.77 CACNA2D1 (0.35) CTSKCTSSBACE1
SCHEMBL5518671 0.77 CACNA2D1 (0.35) CTSKCTSSBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677799-A4 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO INC (US) 2008-09-10 EP disclosed
US-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain MERCK & CO., INC. 2007-09-13 US disclosed
EP-1677799-A1 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN Merck & Co., Inc. (US) 2006-07-12 EP disclosed
WO-2005041971-A1 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO., INC. (US) 2005-05-12 WO disclosed
WO-2005041971-A1 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO., INC. (US) 2005-05-12 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-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain PER2, CNR2, OPRD1 L3MBTL1 1588/4885CTSK 2391/4885CTSS 3514/4885

“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.