Methane

Methane

SCHEMBL5182249

C.N[C@@H](C(=O)O)C(I)c1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
SRC P12931 1/20 0.46
DPP4 P27487 2/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
SLC1A2 P43004 4/20 0.44
SLC1A3 P43003 3/20 0.44
SLC1A1 P43005 3/20 0.44
GRM2 Q14416 1/20 0.42
GRM3 Q14832 1/20 0.42
F2 P00734 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5 P09917 1/20 0.40

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
Methane SCHEMBL5182658 1.00 CYP2D6 (0.46) CYP2D6SRCDPP4LMNAMAPK1
SCHEMBL14935915 0.98 CYP2D6 (0.48) CYP2D6SRCDPP4LMNAMAPK1
SCHEMBL2939473 0.98 CYP2D6 (0.48) CYP2D6SRCDPP4LMNAMAPK1
Methane SCHEMBL20292606 0.84 TDP1 (0.43) CYP2D6SRCLMNASLC1A2SLC1A3
SCHEMBL28688103 0.82 TDP1 (0.44) CYP2D6SRCLMNASLC1A2SLC1A3
SCHEMBL3112337 0.82 TDP1 (0.44) CYP2D6SRCLMNASLC1A2SLC1A3
SCHEMBL189878 0.82 TDP1 (0.44) CYP2D6SRCLMNASLC1A2SLC1A3
Iodide SCHEMBL27294834 0.80 TDP1 (0.43) CYP2D6SRCLMNASLC1A2SLC1A3
Methane SCHEMBL29238636 0.78 DPP4 (0.50) CYP2D6SRCDPP4LMNAMAPK1
SCHEMBL43670 0.76 DPP4 (0.52) CYP2D6SRCDPP4LMNAMAPK1

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-1366025-B1 AGONISTS OF BETA-ADRENORECEPTORS GLAXO GROUP LTD (GB) 2007-06-27 EP disclosed
US-7144908-B2 Agonists of beta-adrenoceptors GLAXO GROUP LIMITED (GB) 2006-12-05 US disclosed
US-20040242890-A1 Agonists of beta-adrenoceptors GLAXO GROUP LIMITED (GB) 2004-12-02 US disclosed
EP-1366025-A1 AGONISTS OF BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 2003-12-03 EP disclosed
WO-2002070490-A1 AGONISTS OF BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 2002-09-12 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-20040242890-A1 Agonists of beta-adrenoceptors ADRB1, ADRB2, ADRA1A CYP2D6 696/4885SRC 3846/4885DPP4 3092/4885

“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.